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

C17H19ClFN — CID 170866005

IUPAC3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(-c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H19ClFN/c1-20(2)11-3-4-13-5-7-14(8-6-13)15-9-10-16(18)17(19)12-15/h5-10,12H,3-4,11H2,1-2H3
InChIKeyLAYAQKQNQJRSSU-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.64
Rot. Bonds5

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

3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866005) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866005
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(-c2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C17H19ClFN/c1-20(2)11-3-4-13-5-7-14(8-6-13)15-9-10-16(18)17(19)12-15/h5-10,12H,3-4,11H2,1-2H3
InChIKeyLAYAQKQNQJRSSU-UHFFFAOYSA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865230
N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 170865959
13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
CID 53446484
N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine
CID 145234947
4-butyl-1-chloro-2-fluorobenzene
CID 20755408
3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 70586512
3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 170865611
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
CID 59280137
CID 59280137
4-(4-chloro-3-fluorophenyl)aniline
CID 3265089
2-(4-chloro-3-fluorophenyl)-1,3-difluoro-5-[2-[4-[2-(4-heptylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54363230

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine (CID 170866005) is 3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(-c2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is LAYAQKQNQJRSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-20(2)11-3-4-13-5-7-14(8-6-13)15-9-10-16(18)17(19)12-15/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine?
3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).