(4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine

C18H22FN — CID 81477384

IUPAC(4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2ccc(C(C)(C)C)cc2)c1F
InChIInChI=1S/C18H22FN/c1-12-6-5-7-15(16(12)19)17(20)13-8-10-14(11-9-13)18(2,3)4/h5-11,17H,20H2,1-4H3
InChIKeySGOXNCWUTKTDNM-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.48
Rot. Bonds2

About (4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine

(4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine (PubChem CID 81477384) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine
PubChem CID81477384
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name(4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2ccc(C(C)(C)C)cc2)c1F
InChIInChI=1S/C18H22FN/c1-12-6-5-7-15(16(12)19)17(20)13-8-10-14(11-9-13)18(2,3)4/h5-11,17H,20H2,1-4H3
InChIKeySGOXNCWUTKTDNM-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 106648227
(2-fluoro-3-methylphenyl)-naphthalen-2-ylmethanamine
CID 115850991
(2-fluoro-3-methylphenyl)-(furan-3-yl)methanamine
CID 115855456
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
(4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877511
(2-bromo-3,4-difluorophenyl)-(4-tert-butylphenyl)methanamine
CID 107538899
(2-methylphenyl)-phenylmethanamine
CID 15254157
(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81478085
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
CID 125426218
[(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine
CID 107986010
(2-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 66259744
(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115850522

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine (CID 81477384) is (4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine is Cc1cccc(C(N)c2ccc(C(C)(C)C)cc2)c1F.
What is the InChIKey of (4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine?
The InChIKey is SGOXNCWUTKTDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-12-6-5-7-15(16(12)19)17(20)13-8-10-14(11-9-13)18(2,3)4/h5-11,17H,20H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine?
(4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine has a molecular weight of 271.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 81477384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).