(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine

C18H20FN — CID 105052284

IUPAC(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccccc2C2CCC2)c(F)c1
InChIInChI=1S/C18H20FN/c1-12-9-10-16(17(19)11-12)18(20)15-8-3-2-7-14(15)13-5-4-6-13/h2-3,7-11,13,18H,4-6,20H2,1H3
InChIKeyNOMBGBRNRWPLKW-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.45
Rot. Bonds3

About (2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine

(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine (PubChem CID 105052284) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
PubChem CID105052284
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccccc2C2CCC2)c(F)c1
InChIInChI=1S/C18H20FN/c1-12-9-10-16(17(19)11-12)18(20)15-8-3-2-7-14(15)13-5-4-6-13/h2-3,7-11,13,18H,4-6,20H2,1H3
InChIKeyNOMBGBRNRWPLKW-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-cyclobutylphenyl)-(2-methoxy-4-methylphenyl)methanamine
CID 106791150
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
[(2-cyclobutylphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105341325
(4-bromo-2,6-difluorophenyl)-(2-cyclobutylphenyl)methanamine
CID 105052438
(2-cyclobutylphenyl)-(2,4-dibromophenyl)methanamine
CID 107946938
(2-cyclobutylphenyl)-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503001
(2-cyclobutylphenyl)-(4-methylthiophen-3-yl)methanamine
CID 114604077
1-(2-cyclobutylphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105052188
(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105052432
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine
CID 131545963
(S)-cyclopentyl-(2-fluoro-4-methylphenyl)methanamine;hydrochloride
CID 171221506

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine (CID 105052284) is (2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccccc2C2CCC2)c(F)c1.
What is the InChIKey of (2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine?
The InChIKey is NOMBGBRNRWPLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c1-12-9-10-16(17(19)11-12)18(20)15-8-3-2-7-14(15)13-5-4-6-13/h2-3,7-11,13,18H,4-6,20H2,1H3.
What are the key properties of (2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine?
(2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine has a molecular weight of 269.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(2-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 105052284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).