1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine

C16H18FN — CID 61033370

IUPAC1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(C)ccc2C)cc1F
InChIInChI=1S/C16H18FN/c1-11-4-5-12(2)15(8-11)13-6-7-14(10-18-3)16(17)9-13/h4-9,18H,10H2,1-3H3
InChIKeyNAZIHAWWQKHTPM-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.83
Rot. Bonds3

About 1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine

1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine (PubChem CID 61033370) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine
PubChem CID61033370
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(C)ccc2C)cc1F
InChIInChI=1S/C16H18FN/c1-11-4-5-12(2)15(8-11)13-6-7-14(10-18-3)16(17)9-13/h4-9,18H,10H2,1-3H3
InChIKeyNAZIHAWWQKHTPM-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-fluoro-4-(2,4,5-trifluorophenyl)phenyl]-N-methylmethanamine
CID 115503173
1-[2-fluoro-4-(3-fluoro-5-methylphenyl)phenyl]-N-methylmethanamine
CID 79690156
1-[4-(2-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911260
1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 107514112
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
4-(2,5-dimethylphenyl)-2-fluorobenzaldehyde
CID 61032850
1-[4-(4-bromo-3-chloro-2-fluorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 106763208
1-[4-(3-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 61227637
4-(2,5-dimethylphenyl)-2-fluorobenzoic acid
CID 53211178
1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
CID 63424766
1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 84654035
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine (CID 61033370) is 1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine is CNCc1ccc(-c2cc(C)ccc2C)cc1F.
What is the InChIKey of 1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine?
The InChIKey is NAZIHAWWQKHTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-11-4-5-12(2)15(8-11)13-6-7-14(10-18-3)16(17)9-13/h4-9,18H,10H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine?
1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine has a molecular weight of 243.32 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenyl)-2-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 61033370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).