1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine

C19H24ClN — CID 106867468

IUPAC1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(C)cc1)Cc1ccc(C)cc1Cl
InChIInChI=1S/C19H24ClN/c1-4-21-18(12-16-8-5-14(2)6-9-16)13-17-10-7-15(3)11-19(17)20/h5-11,18,21H,4,12-13H2,1-3H3
InChIKeyRXHDNFCEKOHTKY-UHFFFAOYSA-N
MW301.86 g/mol
LogP4.72
Rot. Bonds6

About 1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine

1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine (PubChem CID 106867468) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
PubChem CID106867468
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
SMILESCCNC(Cc1ccc(C)cc1)Cc1ccc(C)cc1Cl
InChIInChI=1S/C19H24ClN/c1-4-21-18(12-16-8-5-14(2)6-9-16)13-17-10-7-15(3)11-19(17)20/h5-11,18,21H,4,12-13H2,1-3H3
InChIKeyRXHDNFCEKOHTKY-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 106867485
1-(2-bromophenyl)-3-(2-chloro-4-methylphenyl)-N-ethylpropan-2-amine
CID 106868115
1-(2-chloro-4-methylphenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 106867430
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63415187
1-(2-chloro-4-methylphenyl)-N-ethyl-4-pyridin-3-ylbutan-2-amine
CID 106867781
1-(2-chloro-4-methylphenyl)butan-2-ylhydrazine
CID 106868414
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-2-amine
CID 61482245
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 105181697
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867838
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine
CID 106866972
1-(2,3-difluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 62605093
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine (CID 106867468) is 1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine is CCNC(Cc1ccc(C)cc1)Cc1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine?
The InChIKey is RXHDNFCEKOHTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-21-18(12-16-8-5-14(2)6-9-16)13-17-10-7-15(3)11-19(17)20/h5-11,18,21H,4,12-13H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine?
1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine has a molecular weight of 301.86 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 106867468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).