(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine

C17H20FN — CID 81278893

IUPAC(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(F)cc2C)cc1C
InChIInChI=1S/C17H20FN/c1-10-7-12(3)16(9-11(10)2)17(19)15-6-5-14(18)8-13(15)4/h5-9,17H,19H2,1-4H3
InChIKeyPSXPXVAXOWOXBJ-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.11
Rot. Bonds2

About (4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine

(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 81278893) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID81278893
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(F)cc2C)cc1C
InChIInChI=1S/C17H20FN/c1-10-7-12(3)16(9-11(10)2)17(19)15-6-5-14(18)8-13(15)4/h5-9,17H,19H2,1-4H3
InChIKeyPSXPXVAXOWOXBJ-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105256714
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990499
(2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142755
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495
(R)-(4-fluoro-2-methylphenyl)-thiophen-2-ylmethanamine
CID 131473320
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
CID 56971906

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine (CID 81278893) is (4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2ccc(F)cc2C)cc1C.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is PSXPXVAXOWOXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-10-7-12(3)16(9-11(10)2)17(19)15-6-5-14(18)8-13(15)4/h5-9,17H,19H2,1-4H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine?
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 257.35 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 81278893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).