1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine

C19H18FN — CID 115850961

IUPAC1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
SMILESCNC(c1ccc2ccccc2c1)c1ccc(C)cc1F
InChIInChI=1S/C19H18FN/c1-13-7-10-17(18(20)11-13)19(21-2)16-9-8-14-5-3-4-6-15(14)12-16/h3-12,19,21H,1-2H3
InChIKeyHVNKOMWJFLPAEZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.60
Rot. Bonds3

About 1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine

1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine (PubChem CID 115850961) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
PubChem CID115850961
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
SMILESCNC(c1ccc2ccccc2c1)c1ccc(C)cc1F
InChIInChI=1S/C19H18FN/c1-13-7-10-17(18(20)11-13)19(21-2)16-9-8-14-5-3-4-6-15(14)12-16/h3-12,19,21H,1-2H3
InChIKeyHVNKOMWJFLPAEZ-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106857455
1-(2-fluoro-4-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130367
1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791781
(2-fluoro-4-methylphenyl)-naphthalen-2-ylmethanol
CID 115792718
1-(2,4-dichlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 63502238
1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106645505
1-(2-fluoro-4-methylphenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050619
1-(2-chlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62716429
1-(3-cyclobutylphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 105053588
1-(2-fluoro-4-methylphenyl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105021150
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
1-(4-chloro-3-fluorophenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 107993091

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine (CID 115850961) is 1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine is CNC(c1ccc2ccccc2c1)c1ccc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
The InChIKey is HVNKOMWJFLPAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c1-13-7-10-17(18(20)11-13)19(21-2)16-9-8-14-5-3-4-6-15(14)12-16/h3-12,19,21H,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine?
1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine has a molecular weight of 279.36 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine is sourced from PubChem (CID 115850961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).