5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine

C18H22FN — CID 82542776

IUPAC5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
SMILESCC(CCN)CCc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C18H22FN/c1-14(11-12-20)5-6-15-7-9-16(10-8-15)17-3-2-4-18(19)13-17/h2-4,7-10,13-14H,5-6,11-12,20H2,1H3
InChIKeyZAIZTSCULJMNLE-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.41
Rot. Bonds6

About 5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine

5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine (PubChem CID 82542776) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
PubChem CID82542776
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
SMILESCC(CCN)CCc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C18H22FN/c1-14(11-12-20)5-6-15-7-9-16(10-8-15)17-3-2-4-18(19)13-17/h2-4,7-10,13-14H,5-6,11-12,20H2,1H3
InChIKeyZAIZTSCULJMNLE-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
CID 82542777
4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82542782
3-[4-(5-amino-3-methylpentyl)phenyl]benzoic acid
CID 82542544
4-[3-(5-amino-3-methylpentyl)phenyl]phenol
CID 82542822
5-(4-benzylphenyl)-3-methylpentan-1-amine
CID 65305469
N-[2-(3-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202786
5-[4-(2-methoxyphenyl)phenyl]-3-methylpentan-1-amine
CID 82542712
1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
CID 143262024
4-[4-(3-methylphenyl)phenyl]butan-2-amine
CID 82542141
3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542784
N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158
1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine
CID 82540477

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine?
The IUPAC name of 5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine (CID 82542776) is 5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine.
What is the SMILES notation for 5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine?
The canonical SMILES for 5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine is CC(CCN)CCc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine?
The InChIKey is ZAIZTSCULJMNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-14(11-12-20)5-6-15-7-9-16(10-8-15)17-3-2-4-18(19)13-17/h2-4,7-10,13-14H,5-6,11-12,20H2,1H3.
What are the key properties of 5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine?
5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine is sourced from PubChem (CID 82542776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).