(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine

C17H20ClN — CID 81366290

IUPAC(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1C(C)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN/c1-12-7-4-5-10-17(12)14(3)19-13(2)15-8-6-9-16(18)11-15/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1
InChIKeyFREHKEOEXWAXDY-LSLKUGRBSA-N
MW273.81 g/mol
LogP5.06
Rot. Bonds4

About (1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine

(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine (PubChem CID 81366290) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
PubChem CID81366290
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
SMILESCc1ccccc1C(C)N[C@@H](C)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN/c1-12-7-4-5-10-17(12)14(3)19-13(2)15-8-6-9-16(18)11-15/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1
InChIKeyFREHKEOEXWAXDY-LSLKUGRBSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988
(1R)-1-(3-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 54381200
1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 43203219
(1S)-1-(3-bromophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81382647
(1R)-1-(3-methoxyphenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81376128
1-(3-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81374819
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687
(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81361944
1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 43694861
1-(3-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767416
(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82773741

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine (CID 81366290) is (1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine is Cc1ccccc1C(C)N[C@@H](C)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine?
The InChIKey is FREHKEOEXWAXDY-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-7-4-5-10-17(12)14(3)19-13(2)15-8-6-9-16(18)11-15/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine?
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine has a molecular weight of 273.81 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81366290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).