N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine

C14H20BrN — CID 114985854

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-10(9-12-3-4-12)16-11(2)13-5-7-14(15)8-6-13/h5-8,10-12,16H,3-4,9H2,1-2H3/t10?,11-/m0/s1
InChIKeyLXNUGMOGOJWZMM-DTIOYNMSSA-N
MW282.23 g/mol
LogP4.29
Rot. Bonds5

About N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine

N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine (PubChem CID 114985854) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
PubChem CID114985854
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
SMILESCC(CC1CC1)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-10(9-12-3-4-12)16-11(2)13-5-7-14(15)8-6-13/h5-8,10-12,16H,3-4,9H2,1-2H3/t10?,11-/m0/s1
InChIKeyLXNUGMOGOJWZMM-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 ≤ 500282.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-[1-(3,4-dimethylphenyl)ethyl]propan-2-amine
CID 63989908
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-cyclobutylpropan-2-amine
CID 104866399
1-cyclobutyl-N-[1-(4-ethylphenyl)ethyl]propan-2-amine
CID 113489748
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine
CID 103906303
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 63990132
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
1-cyclopropyl-N-[1-(6-methoxynaphthalen-2-yl)ethyl]propan-2-amine
CID 63989530
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
CID 63989091
N-[1-(4-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43712840

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine (CID 114985854) is N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine is CC(CC1CC1)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine?
The InChIKey is LXNUGMOGOJWZMM-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10(9-12-3-4-12)16-11(2)13-5-7-14(15)8-6-13/h5-8,10-12,16H,3-4,9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine?
N-[(1S)-1-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine has a molecular weight of 282.23 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-(4-bromophenyl)ethyl]-1-cyclopropylpropan-2-amine is sourced from PubChem (CID 114985854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).