(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine

C17H20FN — CID 62515845

IUPAC(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc(C)ccc2F)c(C)c1
InChIInChI=1S/C17H20FN/c1-10-5-6-15(18)14(9-10)17(19)16-12(3)7-11(2)8-13(16)4/h5-9,17H,19H2,1-4H3
InChIKeyPLJHUJQXXBLRPN-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.11
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine

(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine (PubChem CID 62515845) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
PubChem CID62515845
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2cc(C)ccc2F)c(C)c1
InChIInChI=1S/C17H20FN/c1-10-5-6-15(18)14(9-10)17(19)16-12(3)7-11(2)8-13(16)4/h5-9,17H,19H2,1-4H3
InChIKeyPLJHUJQXXBLRPN-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

(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852896
(2,5-difluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881519
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
[(2-fluoro-4,6-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 106884601
(5-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680991
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of (2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine (CID 62515845) is (2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2cc(C)ccc2F)c(C)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is PLJHUJQXXBLRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-10-5-6-15(18)14(9-10)17(19)16-12(3)7-11(2)8-13(16)4/h5-9,17H,19H2,1-4H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine?
(2-fluoro-5-methylphenyl)-(2,4,6-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 (2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 62515845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).