N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine

C17H20ClN — CID 81366687

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)N[C@H](C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClN/c1-12-7-9-15(10-8-12)13(2)19-14(3)16-5-4-6-17(18)11-16/h4-11,13-14,19H,1-3H3/t13?,14-/m1/s1
InChIKeySICVSQYALPIYEI-ARLHGKGLSA-N
MW273.81 g/mol
LogP5.06
Rot. Bonds4

About N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81366687) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
PubChem CID81366687
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)N[C@H](C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClN/c1-12-7-9-15(10-8-12)13(2)19-14(3)16-5-4-6-17(18)11-16/h4-11,13-14,19H,1-3H3/t13?,14-/m1/s1
InChIKeySICVSQYALPIYEI-ARLHGKGLSA-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
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
(1R)-N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 83069629
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
2-chloro-5-[1-[1-(3-chlorophenyl)ethylamino]ethyl]aniline
CID 72566162
2-[1-[1-(3-chlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710455
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81376233
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867952
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine (CID 81366687) is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)N[C@H](C)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is SICVSQYALPIYEI-ARLHGKGLSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-7-9-15(10-8-12)13(2)19-14(3)16-5-4-6-17(18)11-16/h4-11,13-14,19H,1-3H3/t13?,14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine?
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)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 N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81366687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).