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

C18H22FN — CID 82542777

IUPAC5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
SMILESCC(CCN)CCc1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C18H22FN/c1-14(10-11-20)8-9-15-4-2-5-16(12-15)17-6-3-7-18(19)13-17/h2-7,12-14H,8-11,20H2,1H3
InChIKeySKTBDKCJLIXPKF-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.41
Rot. Bonds6

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

5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine (PubChem CID 82542777) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
PubChem CID82542777
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
SMILESCC(CCN)CCc1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C18H22FN/c1-14(10-11-20)8-9-15-4-2-5-16(12-15)17-6-3-7-18(19)13-17/h2-7,12-14H,8-11,20H2,1H3
InChIKeySKTBDKCJLIXPKF-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-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
CID 82542776
4-[3-(5-amino-3-methylpentyl)phenyl]phenol
CID 82542822
4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82542782
N-[2-(3-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202786
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
3-[4-(5-amino-3-methylpentyl)phenyl]benzoic acid
CID 82542544
5-(4-benzylphenyl)-3-methylpentan-1-amine
CID 65305469
3-[3-(3-fluorophenyl)phenyl]propan-1-ol
CID 58166151
(3S,5R)-3-(aminomethyl)-7-(3-fluorophenyl)-5-methylheptanoic acid
CID 53241288
3-[5-(3-fluorophenyl)-3-pyridinyl]butan-1-amine
CID 82542784

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine?
The IUPAC name of 5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine (CID 82542777) is 5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine.
What is the SMILES notation for 5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine?
The canonical SMILES for 5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine is CC(CCN)CCc1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine?
The InChIKey is SKTBDKCJLIXPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-14(10-11-20)8-9-15-4-2-5-16(12-15)17-6-3-7-18(19)13-17/h2-7,12-14H,8-11,20H2,1H3.
What are the key properties of 5-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine?
5-[3-(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-[3-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine is sourced from PubChem (CID 82542777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).