1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine

C11H14BrN — CID 83693001

IUPAC1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine
SMILESCC(c1ccccc1Br)C1(N)CC1
InChIInChI=1S/C11H14BrN/c1-8(11(13)6-7-11)9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3
InChIKeyLHWMLCWEQDJZCW-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.04
Rot. Bonds2

About 1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine

1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine (PubChem CID 83693001) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine
PubChem CID83693001
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine
SMILESCC(c1ccccc1Br)C1(N)CC1
InChIInChI=1S/C11H14BrN/c1-8(11(13)6-7-11)9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3
InChIKeyLHWMLCWEQDJZCW-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine
CID 84738643
O-[1-(2-bromophenyl)ethyl]hydroxylamine
CID 117104899
1-(1-phenylethyl)cyclopropan-1-amine;hydrochloride
CID 138987875
1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464635
(1S)-1-(2-bromophenyl)ethanol
CID 6950331
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
1-(2-bromophenyl)ethanethiol
CID 43124084
2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol
CID 82380657
(2-bromophenyl)methanediamine
CID 22286781
(1R)-1-(2-bromophenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 81378593
1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine (CID 83693001) is 1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine is CC(c1ccccc1Br)C1(N)CC1.
What is the InChIKey of 1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine?
The InChIKey is LHWMLCWEQDJZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-8(11(13)6-7-11)9-4-2-3-5-10(9)12/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine?
1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine has a molecular weight of 240.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 83693001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).