N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine

C13H18BrN — CID 81383862

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
SMILESCC(N[C@@H](C)c1ccccc1Br)C1CC1
InChIInChI=1S/C13H18BrN/c1-9(11-7-8-11)15-10(2)12-5-3-4-6-13(12)14/h3-6,9-11,15H,7-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyOHGYSIMQNDPFNA-AXDSSHIGSA-N
MW268.20 g/mol
LogP3.90
Rot. Bonds4

About N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine

N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine (PubChem CID 81383862) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
PubChem CID81383862
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
SMILESCC(N[C@@H](C)c1ccccc1Br)C1CC1
InChIInChI=1S/C13H18BrN/c1-9(11-7-8-11)15-10(2)12-5-3-4-6-13(12)14/h3-6,9-11,15H,7-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyOHGYSIMQNDPFNA-AXDSSHIGSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383230
(1S)-N-[1-(2-bromophenyl)ethyl]-1-cycloheptylethanamine
CID 81389871
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclohexylethanamine
CID 81383884
(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81378467
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303
1-cyclopropyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81397213
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81378755
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine (CID 81383862) is N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine is CC(N[C@@H](C)c1ccccc1Br)C1CC1.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine?
The InChIKey is OHGYSIMQNDPFNA-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H18BrN/c1-9(11-7-8-11)15-10(2)12-5-3-4-6-13(12)14/h3-6,9-11,15H,7-8H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine?
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine has a molecular weight of 268.20 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine is sourced from PubChem (CID 81383862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).