(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine

C18H19BrClN — CID 81357139

IUPAC(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
SMILESC[C@@H](NC(c1ccc(Cl)cc1)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrClN/c1-12(13-4-8-16(19)9-5-13)21-18(14-2-3-14)15-6-10-17(20)11-7-15/h4-12,14,18,21H,2-3H2,1H3/t12-,18?/m1/s1
InChIKeySYNOINLDMTVNNN-GKOGFXNCSA-N
MW364.71 g/mol
LogP5.90
Rot. Bonds5

About (1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine (PubChem CID 81357139) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
PubChem CID81357139
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC Name(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
SMILESC[C@@H](NC(c1ccc(Cl)cc1)C1CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrClN/c1-12(13-4-8-16(19)9-5-13)21-18(14-2-3-14)15-6-10-17(20)11-7-15/h4-12,14,18,21H,2-3H2,1H3/t12-,18?/m1/s1
InChIKeySYNOINLDMTVNNN-GKOGFXNCSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.71
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81382422
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)ethanamine
CID 81359219
(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81378755
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209490
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-cyclopropylethanamine
CID 81352705
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43782979
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine (CID 81357139) is (1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine is C[C@@H](NC(c1ccc(Cl)cc1)C1CC1)c1ccc(Br)cc1.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine?
The InChIKey is SYNOINLDMTVNNN-GKOGFXNCSA-N. The full InChI is InChI=1S/C18H19BrClN/c1-12(13-4-8-16(19)9-5-13)21-18(14-2-3-14)15-6-10-17(20)11-7-15/h4-12,14,18,21H,2-3H2,1H3/t12-,18?/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine has a molecular weight of 364.71 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 81357139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).