(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine

C18H19BrClN — CID 81382422

IUPAC(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
SMILESC[C@H](NC(c1ccc(Cl)cc1)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C18H19BrClN/c1-12(15-3-2-4-16(19)11-15)21-18(13-5-6-13)14-7-9-17(20)10-8-14/h2-4,7-13,18,21H,5-6H2,1H3/t12-,18?/m0/s1
InChIKeyTWERQGXMHBXLSG-RSXQAXDFSA-N
MW364.71 g/mol
LogP5.90
Rot. Bonds5

About (1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine

(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine (PubChem CID 81382422) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is (1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
PubChem CID81382422
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC Name(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
SMILESC[C@H](NC(c1ccc(Cl)cc1)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C18H19BrClN/c1-12(15-3-2-4-16(19)11-15)21-18(13-5-6-13)14-7-9-17(20)10-8-14/h2-4,7-13,18,21H,5-6H2,1H3/t12-,18?/m0/s1
InChIKeyTWERQGXMHBXLSG-RSXQAXDFSA-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-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
(1S)-1-(3-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]ethanamine
CID 81366288
N-[3-[1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]ethyl]phenyl]acetamide
CID 119164758
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752
(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81378755
N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 43673292
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
1-(3-bromophenyl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 43740628
N-[cyclopropyl(phenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 60781974

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine?
The IUPAC name of (1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine (CID 81382422) is (1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine is C[C@H](NC(c1ccc(Cl)cc1)C1CC1)c1cccc(Br)c1.
What is the InChIKey of (1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine?
The InChIKey is TWERQGXMHBXLSG-RSXQAXDFSA-N. The full InChI is InChI=1S/C18H19BrClN/c1-12(15-3-2-4-16(19)11-15)21-18(13-5-6-13)14-7-9-17(20)10-8-14/h2-4,7-13,18,21H,5-6H2,1H3/t12-,18?/m0/s1.
What are the key properties of (1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine?
(1S)-1-(3-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 (1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 81382422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).