N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine

C14H20BrN — CID 103906303

IUPACN-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C14H20BrN/c1-10(9-12-7-8-12)16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyFKQBFIKGWIKVND-DTIOYNMSSA-N
MW282.22 g/mol
LogP4.29
Rot. Bonds5

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

N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine (PubChem CID 103906303) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
PubChem CID103906303
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC NameN-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C14H20BrN/c1-10(9-12-7-8-12)16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyFKQBFIKGWIKVND-DTIOYNMSSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 104866435
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 81383862
1-cyclopropyl-N-[1-(2,3-difluorophenyl)ethyl]propan-2-amine
CID 103906225
1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 113489913
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 113489915
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
N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 114985854
N-[1-(2-bromophenyl)ethyl]hex-5-en-2-amine
CID 104655434
(1R)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81378467
(1R)-1-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81378377

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine?
The IUPAC name of N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine (CID 103906303) is N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine?
The canonical SMILES for N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine is CC(CC1CC1)N[C@@H](C)c1ccccc1Br.
What is the InChIKey of N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine?
The InChIKey is FKQBFIKGWIKVND-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10(9-12-7-8-12)16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine?
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine has a molecular weight of 282.22 g/mol, XLogP of 4.29, 5 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-cyclopropylpropan-2-amine is sourced from PubChem (CID 103906303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).