[4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine

C16H24BrN3O2 — CID 120844485

IUPAC[4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2ccc(Br)cc2N2CCOCC2)CCO1
InChIInChI=1S/C16H24BrN3O2/c17-14-2-1-13(11-19-3-8-22-15(10-18)12-19)16(9-14)20-4-6-21-7-5-20/h1-2,9,15H,3-8,10-12,18H2
InChIKeyIYRQNHYADPPJSL-UHFFFAOYSA-N
MW370.29 g/mol
LogP1.45
Rot. Bonds4

About [4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine

[4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine (PubChem CID 120844485) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is [4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine
PubChem CID120844485
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name[4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2ccc(Br)cc2N2CCOCC2)CCO1
InChIInChI=1S/C16H24BrN3O2/c17-14-2-1-13(11-19-3-8-22-15(10-18)12-19)16(9-14)20-4-6-21-7-5-20/h1-2,9,15H,3-8,10-12,18H2
InChIKeyIYRQNHYADPPJSL-UHFFFAOYSA-N
XLogP1.45
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]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

(3R)-1-[(4-bromo-2-morpholin-4-ylphenyl)methyl]pyrrolidin-3-amine
CID 120833970
(4-bromo-2-morpholin-4-ylphenyl)methanamine
CID 43364908
[4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine
CID 114397775
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
N-[[4-bromo-2-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 55153715
4-[4-bromo-2-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]morpholine
CID 166094141
4-[4-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenyl]morpholine
CID 166094486
[(2R)-4-(3-bromophenyl)morpholin-2-yl]methanamine
CID 42079022
4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81210968

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine (CID 120844485) is [4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine is NCC1CN(Cc2ccc(Br)cc2N2CCOCC2)CCO1.
What is the InChIKey of [4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is IYRQNHYADPPJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c17-14-2-1-13(11-19-3-8-22-15(10-18)12-19)16(9-14)20-4-6-21-7-5-20/h1-2,9,15H,3-8,10-12,18H2.
What are the key properties of [4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine?
[4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 370.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 120844485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).