N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine

C19H31BN2O3 — CID 172543618

IUPACN,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine
SMILESCN(C)C[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCO1
InChIInChI=1S/C19H31BN2O3/c1-18(2)19(3,4)25-20(24-18)15-7-9-16(10-8-15)22-11-12-23-17(14-22)13-21(5)6/h7-10,17H,11-14H2,1-6H3/t17-/m0/s1
InChIKeyYSECYHKAYMEXGN-KRWDZBQOSA-N
MW346.28 g/mol
LogP1.75
Rot. Bonds4

About N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine

N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine (PubChem CID 172543618) has the molecular formula C19H31BN2O3 and a molecular weight of 346.28 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine
PubChem CID172543618
Molecular FormulaC19H31BN2O3
Molecular Weight346.28 g/mol
Exact Mass346.24
IUPAC NameN,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine
SMILESCN(C)C[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCO1
InChIInChI=1S/C19H31BN2O3/c1-18(2)19(3,4)25-20(24-18)15-7-9-16(10-8-15)22-11-12-23-17(14-22)13-21(5)6/h7-10,17H,11-14H2,1-6H3/t17-/m0/s1
InChIKeyYSECYHKAYMEXGN-KRWDZBQOSA-N
XLogP1.75
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methyl methanesulfonate
CID 172543391
1-[(2R)-4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 125130337
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 2795361
1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 99790126
(3R)-3-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
CID 89449024
N-methyl-N-[[(3R)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 171059521
N,N-dimethyl-1-[2-(2-methylmorpholin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 174214379
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
CID 4961250
2-(phenylmethoxymethyl)-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
CID 78032009
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine;hydrochloride
CID 75176021
(3R)-3-methylsulfinyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine
CID 166093270
7-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-oxa-7-azaspiro[2.5]octane
CID 174095049

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine (CID 172543618) is N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine is CN(C)C[C@H]1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCO1.
What is the InChIKey of N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine?
The InChIKey is YSECYHKAYMEXGN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31BN2O3/c1-18(2)19(3,4)25-20(24-18)15-7-9-16(10-8-15)22-11-12-23-17(14-22)13-21(5)6/h7-10,17H,11-14H2,1-6H3/t17-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine?
N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine has a molecular weight of 346.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 172543618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).