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

C18H22FN — CID 107130189

IUPAC(2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccccc2C(C)(C)C)cc1F
InChIInChI=1S/C18H22FN/c1-12-9-10-13(11-16(12)19)17(20)14-7-5-6-8-15(14)18(2,3)4/h5-11,17H,20H2,1-4H3
InChIKeyCQZMEIFDHGSSAF-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.48
Rot. Bonds2

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

(2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 107130189) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine
PubChem CID107130189
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name(2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccccc2C(C)(C)C)cc1F
InChIInChI=1S/C18H22FN/c1-12-9-10-13(11-16(12)19)17(20)14-7-5-6-8-15(14)18(2,3)4/h5-11,17H,20H2,1-4H3
InChIKeyCQZMEIFDHGSSAF-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

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Related Compounds

(2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115852087
(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
CID 107130474
(3-bromo-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853868
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288878
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 105394677
(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
CID 115828038
(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol
CID 161443517
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine (CID 107130189) is (2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine is Cc1ccc(C(N)c2ccccc2C(C)(C)C)cc1F.
What is the InChIKey of (2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is CQZMEIFDHGSSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-12-9-10-13(11-16(12)19)17(20)14-7-5-6-8-15(14)18(2,3)4/h5-11,17H,20H2,1-4H3.
What are the key properties of (2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine?
(2-tert-butylphenyl)-(3-fluoro-4-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 (2-tert-butylphenyl)-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 107130189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).