3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine

C17H20ClN — CID 10757306

IUPAC3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClN/c1-19(2)13-3-4-14-5-7-15(8-6-14)16-9-11-17(18)12-10-16/h5-12H,3-4,13H2,1-2H3
InChIKeyITGNVQBYQLFBHH-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.50
Rot. Bonds5

About 3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine

3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 10757306) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
PubChem CID10757306
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClN/c1-19(2)13-3-4-14-5-7-15(8-6-14)16-9-11-17(18)12-10-16/h5-12H,3-4,13H2,1-2H3
InChIKeyITGNVQBYQLFBHH-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 70586512
3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170866005
4-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylbutan-1-amine
CID 70587646
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
CID 151532022
3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 170865611
N,N-dimethyl-3-(4-pyrimidin-2-ylphenyl)propan-1-amine
CID 170866043
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
3-[4-(4-chlorophenyl)phenyl]propyl-dimethylazanium chloride
CID 10757305
N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine
CID 145234947
1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108891914

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine (CID 10757306) is 3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is ITGNVQBYQLFBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-19(2)13-3-4-14-5-7-15(8-6-14)16-9-11-17(18)12-10-16/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine?
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 273.81 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10757306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).