1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine

C17H18FN — CID 143881060

IUPAC1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine
SMILESC=C(N)c1c(C)cc(F)cc1Cc1cccc(C)c1
InChIInChI=1S/C17H18FN/c1-11-5-4-6-14(7-11)9-15-10-16(18)8-12(2)17(15)13(3)19/h4-8,10H,3,9,19H2,1-2H3
InChIKeyZUHXPVZDJAXPPQ-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.96
Rot. Bonds3

About 1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine

1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine (PubChem CID 143881060) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine.

Molecular Properties

Compound Name1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine
PubChem CID143881060
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine
SMILESC=C(N)c1c(C)cc(F)cc1Cc1cccc(C)c1
InChIInChI=1S/C17H18FN/c1-11-5-4-6-14(7-11)9-15-10-16(18)8-12(2)17(15)13(3)19/h4-8,10H,3,9,19H2,1-2H3
InChIKeyZUHXPVZDJAXPPQ-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-[(3-methylphenyl)methyl]phenol
CID 59108977
1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene
CID 91017435
1-(2,6-dimethylphenyl)ethenamine
CID 70299963
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
2-[(3-fluorophenyl)methyl]-5-methylaniline
CID 105468725
ethane;2-hydroxy-6-[(3-methylphenyl)methyl]benzoic acid
CID 54516669
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
ethane;methane;1-methyl-3-(2-methylidenebut-3-enyl)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1,3-xylene
CID 143113149
2-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 114348807
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine
CID 140918296
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine?
The IUPAC name of 1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine (CID 143881060) is 1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine.
What is the SMILES notation for 1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine?
The canonical SMILES for 1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine is C=C(N)c1c(C)cc(F)cc1Cc1cccc(C)c1.
What is the InChIKey of 1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine?
The InChIKey is ZUHXPVZDJAXPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-11-5-4-6-14(7-11)9-15-10-16(18)8-12(2)17(15)13(3)19/h4-8,10H,3,9,19H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine?
1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine has a molecular weight of 255.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-methyl-6-[(3-methylphenyl)methyl]phenyl]ethenamine is sourced from PubChem (CID 143881060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).