(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine

C18H19BrClN — CID 81378755

IUPAC(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
SMILESC[C@@H](NC(c1ccc(Cl)cc1)C1CC1)c1ccccc1Br
InChIInChI=1S/C18H19BrClN/c1-12(16-4-2-3-5-17(16)19)21-18(13-6-7-13)14-8-10-15(20)11-9-14/h2-5,8-13,18,21H,6-7H2,1H3/t12-,18?/m1/s1
InChIKeyIISDPOHSDWMCMC-GKOGFXNCSA-N
MW364.71 g/mol
LogP5.90
Rot. Bonds5

About (1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine

(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine (PubChem CID 81378755) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
PubChem CID81378755
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC Name(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
SMILESC[C@@H](NC(c1ccc(Cl)cc1)C1CC1)c1ccccc1Br
InChIInChI=1S/C18H19BrClN/c1-12(16-4-2-3-5-17(16)19)21-18(13-6-7-13)14-8-10-15(20)11-9-14/h2-5,8-13,18,21H,6-7H2,1H3/t12-,18?/m1/s1
InChIKeyIISDPOHSDWMCMC-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)-1-(2-bromophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81378467
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81382422
N-[(1S)-1-(2-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 81383862
N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 60781974
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43782979
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine
CID 43677717
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209490
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine (CID 81378755) is (1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine is C[C@@H](NC(c1ccc(Cl)cc1)C1CC1)c1ccccc1Br.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine?
The InChIKey is IISDPOHSDWMCMC-GKOGFXNCSA-N. The full InChI is InChI=1S/C18H19BrClN/c1-12(16-4-2-3-5-17(16)19)21-18(13-6-7-13)14-8-10-15(20)11-9-14/h2-5,8-13,18,21H,6-7H2,1H3/t12-,18?/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine?
(1R)-1-(2-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-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 81378755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).