1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine

C18H22FN — CID 82540477

IUPAC1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ccc(-c2cccc(F)c2)cc1)C(C)C
InChIInChI=1S/C18H22FN/c1-13(2)18(20-3)11-14-7-9-15(10-8-14)16-5-4-6-17(19)12-16/h4-10,12-13,18,20H,11H2,1-3H3
InChIKeyFAYJHEFGNGWXRK-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.28
Rot. Bonds5

About 1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine

1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine (PubChem CID 82540477) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine
PubChem CID82540477
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ccc(-c2cccc(F)c2)cc1)C(C)C
InChIInChI=1S/C18H22FN/c1-13(2)18(20-3)11-14-7-9-15(10-8-14)16-5-4-6-17(19)12-16/h4-10,12-13,18,20H,11H2,1-3H3
InChIKeyFAYJHEFGNGWXRK-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3,4-dimethylphenyl)phenyl]-N,3-dimethylbutan-2-amine
CID 82540465
4-[4-[3-methyl-2-(methylamino)butyl]phenyl]phenol
CID 82540513
N,3-dimethyl-1-(4-pyridin-3-ylphenyl)butan-2-amine
CID 82540634
4-[4-(3-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82542782
(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide
CID 121266382
1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
CID 143262024
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
N,4-dimethyl-1-(4-phenylphenyl)pentan-3-amine
CID 65455710
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
5-[4-(3-fluorophenyl)phenyl]-3-methylpentan-1-amine
CID 82542776
3-ethoxy-1-(3-fluorophenyl)-N-methylbutan-2-amine
CID 64532588
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine (CID 82540477) is 1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine is CNC(Cc1ccc(-c2cccc(F)c2)cc1)C(C)C.
What is the InChIKey of 1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine?
The InChIKey is FAYJHEFGNGWXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-13(2)18(20-3)11-14-7-9-15(10-8-14)16-5-4-6-17(19)12-16/h4-10,12-13,18,20H,11H2,1-3H3.
What are the key properties of 1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine?
1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)phenyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 82540477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).