3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine

C17H20FN — CID 174659649

IUPAC3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(F)cc(-c2ccccc2)c1
InChIInChI=1S/C17H20FN/c1-19(2)10-6-7-14-11-16(13-17(18)12-14)15-8-4-3-5-9-15/h3-5,8-9,11-13H,6-7,10H2,1-2H3
InChIKeyWMGHRCLWZUPYBK-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.99
Rot. Bonds5

About 3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine

3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 174659649) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine
PubChem CID174659649
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(F)cc(-c2ccccc2)c1
InChIInChI=1S/C17H20FN/c1-19(2)10-6-7-14-11-16(13-17(18)12-14)15-8-4-3-5-9-15/h3-5,8-9,11-13H,6-7,10H2,1-2H3
InChIKeyWMGHRCLWZUPYBK-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]benzene-1,2-diamine
CID 126558940
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133
3-(3-fluoro-5-iodophenyl)-N,N-dimethylpropan-1-amine
CID 170866056
N,N-dimethyl-3-[3-(2-methylphenyl)phenyl]propan-1-amine
CID 170865946
N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 170865959
N-[2-(3,5-difluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 114525148
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170866005
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
1-fluoro-3-[3-(4-phenylphenyl)propyl]benzene
CID 173254875

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine (CID 174659649) is 3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc(F)cc(-c2ccccc2)c1.
What is the InChIKey of 3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is WMGHRCLWZUPYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-19(2)10-6-7-14-11-16(13-17(18)12-14)15-8-4-3-5-9-15/h3-5,8-9,11-13H,6-7,10H2,1-2H3.
What are the key properties of 3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine?
3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-phenylphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 174659649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).