1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine

C17H20ClN — CID 115794283

IUPAC1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C17H20ClN/c1-13-12-15(9-10-16(13)18)17(19-2)11-8-14-6-4-3-5-7-14/h3-7,9-10,12,17,19H,8,11H2,1-2H3
InChIKeyRSWUSGURCINVLN-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.54
Rot. Bonds5

About 1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine

1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 115794283) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
PubChem CID115794283
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C17H20ClN/c1-13-12-15(9-10-16(13)18)17(19-2)11-8-14-6-4-3-5-7-14/h3-7,9-10,12,17,19H,8,11H2,1-2H3
InChIKeyRSWUSGURCINVLN-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 107991975
1-(4-bromo-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794186
N-methyl-1-(3-methylphenyl)-3-phenylpropan-1-amine
CID 60818529
1-(4-chloro-3-methylphenyl)-N-methylpentan-1-amine
CID 115832927
3-(3,4-dichlorophenyl)-N-methyl-1-phenylpropan-1-amine
CID 63400103
1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105076807
N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine
CID 115794332
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
1-(4-chloro-3-methylphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864311
1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 107892575
1-(4-bromo-3-methylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 115793778

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine (CID 115794283) is 1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is RSWUSGURCINVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-13-12-15(9-10-16(13)18)17(19-2)11-8-14-6-4-3-5-7-14/h3-7,9-10,12,17,19H,8,11H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine?
1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 115794283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).