(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine

C18H20ClN — CID 81356331

IUPAC(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccccc1C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN/c1-13(14-8-10-17(19)11-9-14)20-12-16-4-2-3-5-18(16)15-6-7-15/h2-5,8-11,13,15,20H,6-7,12H2,1H3/t13-/m1/s1
InChIKeyRRMQPCGJSAXTKT-CYBMUJFWSA-N
MW285.82 g/mol
LogP5.07
Rot. Bonds5

About (1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine

(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine (PubChem CID 81356331) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
PubChem CID81356331
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccccc1C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN/c1-13(14-8-10-17(19)11-9-14)20-12-16-4-2-3-5-18(16)15-6-7-15/h2-5,8-11,13,15,20H,6-7,12H2,1H3/t13-/m1/s1
InChIKeyRRMQPCGJSAXTKT-CYBMUJFWSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 79889045
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228
N-[(2-cyclopropylphenyl)methyl]-1-thiophen-3-ylethanamine
CID 79984304
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379917
N-[(2-cyclopropylphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
CID 79884254
N-[(2-cyclopropylphenyl)methyl]but-3-yn-2-amine
CID 114415138
(1R)-N-[(2-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398472
1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 43221556
2-[[1-(4-chlorophenyl)ethylamino]methyl]benzonitrile
CID 60693747
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115682727
N-[(3-chloro-2-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 115664149
N-[2-[[1-(4-chlorophenyl)ethylamino]methyl]phenyl]acetamide
CID 66386038

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine (CID 81356331) is (1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine is C[C@@H](NCc1ccccc1C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine?
The InChIKey is RRMQPCGJSAXTKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClN/c1-13(14-8-10-17(19)11-9-14)20-12-16-4-2-3-5-18(16)15-6-7-15/h2-5,8-11,13,15,20H,6-7,12H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine has a molecular weight of 285.82 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[(2-cyclopropylphenyl)methyl]ethanamine is sourced from PubChem (CID 81356331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).