2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine

C13H18BrN — CID 115875991

IUPAC2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine
SMILESCC(CNCC1CC1)c1cccc(Br)c1
InChIInChI=1S/C13H18BrN/c1-10(8-15-9-11-5-6-11)12-3-2-4-13(14)7-12/h2-4,7,10-11,15H,5-6,8-9H2,1H3
InChIKeyGNUHXPOKZYGBHP-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.55
Rot. Bonds5

About 2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine

2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine (PubChem CID 115875991) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine
PubChem CID115875991
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine
SMILESCC(CNCC1CC1)c1cccc(Br)c1
InChIInChI=1S/C13H18BrN/c1-10(8-15-9-11-5-6-11)12-3-2-4-13(14)7-12/h2-4,7,10-11,15H,5-6,8-9H2,1H3
InChIKeyGNUHXPOKZYGBHP-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine
CID 115876148
1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 63490472
4-[[2-(3-bromophenyl)propylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961922
(1S)-1-(3-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81382309
2-(3-bromophenyl)-N-(3-fluoropropyl)propan-1-amine
CID 115876821
(2R)-2-[2-(3-bromophenyl)propylamino]propanoic acid
CID 122038180
2-[[3-[2-(3-bromophenyl)propylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041883
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437
2-(3-bromophenyl)propane-1-thiol
CID 115038075
CID 22401835
CID 22401835
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746
(1S)-1-(3-bromophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132275

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine (CID 115875991) is 2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine is CC(CNCC1CC1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine?
The InChIKey is GNUHXPOKZYGBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10(8-15-9-11-5-6-11)12-3-2-4-13(14)7-12/h2-4,7,10-11,15H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine?
2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine is sourced from PubChem (CID 115875991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).