1-(2-bromophenyl)-2-cyclopropylethanamine

C11H14BrN — CID 64906387

IUPAC1-(2-bromophenyl)-2-cyclopropylethanamine
SMILESNC(CC1CC1)c1ccccc1Br
InChIInChI=1S/C11H14BrN/c12-10-4-2-1-3-9(10)11(13)7-8-5-6-8/h1-4,8,11H,5-7,13H2
InChIKeyVDDDGEHCOZZUNY-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.25
Rot. Bonds3

About 1-(2-bromophenyl)-2-cyclopropylethanamine

1-(2-bromophenyl)-2-cyclopropylethanamine (PubChem CID 64906387) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-cyclopropylethanamine
PubChem CID64906387
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-(2-bromophenyl)-2-cyclopropylethanamine
SMILESNC(CC1CC1)c1ccccc1Br
InChIInChI=1S/C11H14BrN/c12-10-4-2-1-3-9(10)11(13)7-8-5-6-8/h1-4,8,11H,5-7,13H2
InChIKeyVDDDGEHCOZZUNY-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
(1R)-1-(2-bromo-3-pyridinyl)-2-cyclopropylethanamine
CID 130699495
(1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine
CID 171211790
(1S)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
CID 171231397
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine
CID 171226771
(1S)-1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanamine
CID 131145671
1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine
CID 117243579
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303
(R)-(2-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171198060
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234340

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-cyclopropylethanamine?
The IUPAC name of 1-(2-bromophenyl)-2-cyclopropylethanamine (CID 64906387) is 1-(2-bromophenyl)-2-cyclopropylethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-2-cyclopropylethanamine?
The canonical SMILES for 1-(2-bromophenyl)-2-cyclopropylethanamine is NC(CC1CC1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-cyclopropylethanamine?
The InChIKey is VDDDGEHCOZZUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-10-4-2-1-3-9(10)11(13)7-8-5-6-8/h1-4,8,11H,5-7,13H2.
What are the key properties of 1-(2-bromophenyl)-2-cyclopropylethanamine?
1-(2-bromophenyl)-2-cyclopropylethanamine has a molecular weight of 240.14 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-cyclopropylethanamine is sourced from PubChem (CID 64906387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).