N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine

C15H21BrN2O — CID 119124635

IUPACN-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine
SMILESBrc1cccc(CNCC2CN(C3CC3)CCO2)c1
InChIInChI=1S/C15H21BrN2O/c16-13-3-1-2-12(8-13)9-17-10-15-11-18(6-7-19-15)14-4-5-14/h1-3,8,14-15,17H,4-7,9-11H2
InChIKeyCNLAOVSDPDPLAA-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.40
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine

N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine (PubChem CID 119124635) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine
PubChem CID119124635
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine
SMILESBrc1cccc(CNCC2CN(C3CC3)CCO2)c1
InChIInChI=1S/C15H21BrN2O/c16-13-3-1-2-12(8-13)9-17-10-15-11-18(6-7-19-15)14-4-5-14/h1-3,8,14-15,17H,4-7,9-11H2
InChIKeyCNLAOVSDPDPLAA-UHFFFAOYSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-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

3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile
CID 95322212
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 119124747
1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 119124636
1-(4-cyclopropylmorpholin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 119124707
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 95338826
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]methanamine
CID 119124609
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 95347414
1-(4-cyclopropylmorpholin-2-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 119124637
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]methanamine
CID 119124673
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-[(2R)-4-cyclopropylmorpholin-2-yl]methanamine
CID 124545838
1-(4-cyclopropylmorpholin-2-yl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]methanamine
CID 119124665
N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856573

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine (CID 119124635) is N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine is Brc1cccc(CNCC2CN(C3CC3)CCO2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine?
The InChIKey is CNLAOVSDPDPLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c16-13-3-1-2-12(8-13)9-17-10-15-11-18(6-7-19-15)14-4-5-14/h1-3,8,14-15,17H,4-7,9-11H2.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine?
N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine has a molecular weight of 325.25 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(4-cyclopropylmorpholin-2-yl)methanamine is sourced from PubChem (CID 119124635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).