(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine

C14H21BrN2O — CID 81383986

IUPAC(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESC[C@H](NCC1CN(C)CCO1)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-11(13-5-3-4-6-14(13)15)16-9-12-10-17(2)7-8-18-12/h3-6,11-12,16H,7-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyMNAVEJXPXJQNNX-PXYINDEMSA-N
MW313.24 g/mol
LogP2.43
Rot. Bonds4

About (1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine

(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine (PubChem CID 81383986) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
PubChem CID81383986
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
SMILESC[C@H](NCC1CN(C)CCO1)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-11(13-5-3-4-6-14(13)15)16-9-12-10-17(2)7-8-18-12/h3-6,11-12,16H,7-10H2,1-2H3/t11-,12?/m0/s1
InChIKeyMNAVEJXPXJQNNX-PXYINDEMSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine 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

(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657
1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 103901638
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79082017
(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81381423
1-(2,5-dimethylphenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78946775
(1R)-1-(2-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 81379189
(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 95291844
(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 81374031
3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
CID 79083417
1-(2-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 112634306

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine (CID 81383986) is (1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine is C[C@H](NCC1CN(C)CCO1)c1ccccc1Br.
What is the InChIKey of (1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is MNAVEJXPXJQNNX-PXYINDEMSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11(13-5-3-4-6-14(13)15)16-9-12-10-17(2)7-8-18-12/h3-6,11-12,16H,7-10H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine?
(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 313.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 81383986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).