1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine

C12H17BrN2 — CID 65457727

IUPAC1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
SMILESCN(Cc1cccc(Br)c1)CC1(N)CC1
InChIInChI=1S/C12H17BrN2/c1-15(9-12(14)5-6-12)8-10-3-2-4-11(13)7-10/h2-4,7H,5-6,8-9,14H2,1H3
InChIKeyHLJSFGWJGGCPHJ-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.37
Rot. Bonds4

About 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine

1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine (PubChem CID 65457727) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
PubChem CID65457727
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine
SMILESCN(Cc1cccc(Br)c1)CC1(N)CC1
InChIInChI=1S/C12H17BrN2/c1-15(9-12(14)5-6-12)8-10-3-2-4-11(13)7-10/h2-4,7H,5-6,8-9,14H2,1H3
InChIKeyHLJSFGWJGGCPHJ-UHFFFAOYSA-N
XLogP2.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine 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-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 64679525
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 65002738
1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 61411916
methyl 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247625
1-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclopropan-1-amine
CID 65460243
N'-[(3-bromophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61415516
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]oxan-4-yl]methyl]ethanamine
CID 62390459
N'-[(3-bromophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 61415517
1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
N-[(3-bromophenyl)methyl]-4-chloro-N-methylbut-2-en-1-amine
CID 77051571
1-amino-N-[(3-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119285924

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine (CID 65457727) is 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine is CN(Cc1cccc(Br)c1)CC1(N)CC1.
What is the InChIKey of 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine?
The InChIKey is HLJSFGWJGGCPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-15(9-12(14)5-6-12)8-10-3-2-4-11(13)7-10/h2-4,7H,5-6,8-9,14H2,1H3.
What are the key properties of 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine?
1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine has a molecular weight of 269.19 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-bromophenyl)methyl-methylamino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 65457727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).