(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine

C18H20FN — CID 107128712

IUPAC(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
SMILESCc1ccc(C(N)C2(c3ccccc3)CCC2)cc1F
InChIInChI=1S/C18H20FN/c1-13-8-9-14(12-16(13)19)17(20)18(10-5-11-18)15-6-3-2-4-7-15/h2-4,6-9,12,17H,5,10-11,20H2,1H3
InChIKeySKIAXAVEJKLBKO-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.26
Rot. Bonds3

About (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine

(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine (PubChem CID 107128712) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
PubChem CID107128712
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
SMILESCc1ccc(C(N)C2(c3ccccc3)CCC2)cc1F
InChIInChI=1S/C18H20FN/c1-13-8-9-14(12-16(13)19)17(20)18(10-5-11-18)15-6-3-2-4-7-15/h2-4,6-9,12,17H,5,10-11,20H2,1H3
InChIKeySKIAXAVEJKLBKO-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methanamine
CID 63079154
(3-chloro-4-methylphenyl)-(1-phenylcyclopentyl)methanamine
CID 107560263
(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 107129160
(4-fluorophenyl)-(1-phenylcyclohexyl)methanamine
CID 63417721
N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 107128711
(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
CID 63078447
(4-methoxy-3,5-dimethylphenyl)-(1-phenylcyclopropyl)methanamine
CID 83045638
(1-phenylcyclobutyl)-(2,3,4-trifluorophenyl)methanamine
CID 63080571
(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine
CID 63418067
[(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methyl]hydrazine
CID 105217373
(5-bromo-2-fluorophenyl)-(1-phenylcyclopentyl)methanamine
CID 79721756
4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluoro-2-methylbenzene
CID 79746419

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine?
The IUPAC name of (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine (CID 107128712) is (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine is Cc1ccc(C(N)C2(c3ccccc3)CCC2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine?
The InChIKey is SKIAXAVEJKLBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-13-8-9-14(12-16(13)19)17(20)18(10-5-11-18)15-6-3-2-4-7-15/h2-4,6-9,12,17H,5,10-11,20H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine?
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine has a molecular weight of 269.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine is sourced from PubChem (CID 107128712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).