N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline

C14H22N2O — CID 70840132

IUPACN-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline
SMILESCNc1ccc(N2CCOC(C(C)C)C2)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)14-10-16(8-9-17-14)13-6-4-12(15-3)5-7-13/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyHSXCWSKKABXQQR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.59
Rot. Bonds3

About N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline

N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline (PubChem CID 70840132) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline
PubChem CID70840132
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline
SMILESCNc1ccc(N2CCOC(C(C)C)C2)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)14-10-16(8-9-17-14)13-6-4-12(15-3)5-7-13/h4-7,11,14-15H,8-10H2,1-3H3
InChIKeyHSXCWSKKABXQQR-UHFFFAOYSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline 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

N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline
CID 59230935
N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine
CID 59549646
2-propan-2-yl-4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 172576254
3-chloro-5-[4-(2-propan-2-ylmorpholin-4-yl)phenyl]pyrazin-2-amine
CID 174213938
1-[4-(methylamino)phenyl]pyrrolidin-3-amine
CID 89019362
2-ethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]butanamide
CID 110637243
4-(5-fluoro-6-methyl-3-pyridinyl)-2-propan-2-ylmorpholine
CID 176762492
1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]ethanone
CID 58143708
N-[4-(2-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 91661182
2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637241
1-[4-(2-methylmorpholin-4-yl)phenyl]ethanol
CID 43505918
3-chloro-6-fluoro-5-[2-fluoro-4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pyridin-2-amine
CID 166094685

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline?
The IUPAC name of N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline (CID 70840132) is N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline.
What is the SMILES notation for N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline?
The canonical SMILES for N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline is CNc1ccc(N2CCOC(C(C)C)C2)cc1.
What is the InChIKey of N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline?
The InChIKey is HSXCWSKKABXQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)14-10-16(8-9-17-14)13-6-4-12(15-3)5-7-13/h4-7,11,14-15H,8-10H2,1-3H3.
What are the key properties of N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline?
N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline has a molecular weight of 234.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline is sourced from PubChem (CID 70840132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).