1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine

C13H18BrN — CID 103735508

IUPAC1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
SMILESCCC1(CNCc2cccc(Br)c2)CC1
InChIInChI=1S/C13H18BrN/c1-2-13(6-7-13)10-15-9-11-4-3-5-12(14)8-11/h3-5,8,15H,2,6-7,9-10H2,1H3
InChIKeyPTDJRNVRGZYMGF-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.73
Rot. Bonds5

About 1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine

1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine (PubChem CID 103735508) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
PubChem CID103735508
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
SMILESCCC1(CNCc2cccc(Br)c2)CC1
InChIInChI=1S/C13H18BrN/c1-2-13(6-7-13)10-15-9-11-4-3-5-12(14)8-11/h3-5,8,15H,2,6-7,9-10H2,1H3
InChIKeyPTDJRNVRGZYMGF-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]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

1-(3-bromophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802419
2-(3-bromophenoxy)-N-[(1-ethylcyclopropyl)methyl]ethanamine
CID 114099923
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 103735457
N-[(1-ethylcyclobutyl)methyl]-1-(3-nitrophenyl)methanamine
CID 113252692
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124598
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
2-bromo-6-[[(1-ethylcyclopropyl)methylamino]methyl]phenol
CID 103735468
1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
CID 143267542
N'-[(3-bromophenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201979
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
CID 115680308

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine (CID 103735508) is 1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine is CCC1(CNCc2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The InChIKey is PTDJRNVRGZYMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-2-13(6-7-13)10-15-9-11-4-3-5-12(14)8-11/h3-5,8,15H,2,6-7,9-10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine has a molecular weight of 268.20 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 103735508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).