N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine

C19H24ClN — CID 106866272

IUPACN-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1Cl)c1ccccc1C
InChIInChI=1S/C19H24ClN/c1-4-11-21-19(17-8-6-5-7-15(17)3)13-16-10-9-14(2)12-18(16)20/h5-10,12,19,21H,4,11,13H2,1-3H3
InChIKeyGTJWMQMVFYONBD-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.24
Rot. Bonds6

About N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine

N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 106866272) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID106866272
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)cc1Cl)c1ccccc1C
InChIInChI=1S/C19H24ClN/c1-4-11-21-19(17-8-6-5-7-15(17)3)13-16-10-9-14(2)12-18(16)20/h5-10,12,19,21H,4,11,13H2,1-3H3
InChIKeyGTJWMQMVFYONBD-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107308428
N-[2-(2-chloro-5-fluorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 102618617
N-[2-(2-chloro-4-methylphenyl)-1-(4,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 106867157
N-[2-(2-chloro-4-methylphenyl)-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 106866904
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(2-methylsulfanylphenyl)ethanamine
CID 106866868
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(2-chloro-4-methylphenyl)ethyl]propan-1-amine
CID 106867945
N-[2-(2-chloro-4-methylphenyl)-1-(5-ethylfuran-2-yl)ethyl]propan-1-amine
CID 106867205
N-[2-(4-bromo-2-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105181736
1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
2-(2-chloro-4-methylphenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 106867137
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine (CID 106866272) is N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)cc1Cl)c1ccccc1C.
What is the InChIKey of N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is GTJWMQMVFYONBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-11-21-19(17-8-6-5-7-15(17)3)13-16-10-9-14(2)12-18(16)20/h5-10,12,19,21H,4,11,13H2,1-3H3.
What are the key properties of N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylphenyl)-1-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 106866272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).