(2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine

C19H18FN — CID 81480693

IUPAC(2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
SMILESCc1cccc(C(N)c2c(C)ccc3ccccc23)c1F
InChIInChI=1S/C19H18FN/c1-12-10-11-14-7-3-4-8-15(14)17(12)19(21)16-9-5-6-13(2)18(16)20/h3-11,19H,21H2,1-2H3
InChIKeyLQHDKVSISOIELQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.64
Rot. Bonds2

About (2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine

(2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine (PubChem CID 81480693) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
PubChem CID81480693
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name(2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
SMILESCc1cccc(C(N)c2c(C)ccc3ccccc23)c1F
InChIInChI=1S/C19H18FN/c1-12-10-11-14-7-3-4-8-15(14)17(12)19(21)16-9-5-6-13(2)18(16)20/h3-11,19H,21H2,1-2H3
InChIKeyLQHDKVSISOIELQ-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430281
(3-chloro-2-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 107096609
(3-fluorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430027
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
(2-fluoro-3-methylphenyl)-naphthalen-2-ylmethanamine
CID 115850991
1-[bromo-(2,3-difluorophenyl)methyl]-2-methylnaphthalene
CID 81430617
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 105051988
(3,5-dichlorophenyl)-(2-methylnaphthalen-1-yl)methanamine
CID 81430120
(2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81478085
1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanamine
CID 81431572
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
CID 125426218
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine?
The IUPAC name of (2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine (CID 81480693) is (2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine?
The canonical SMILES for (2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine is Cc1cccc(C(N)c2c(C)ccc3ccccc23)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine?
The InChIKey is LQHDKVSISOIELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c1-12-10-11-14-7-3-4-8-15(14)17(12)19(21)16-9-5-6-13(2)18(16)20/h3-11,19H,21H2,1-2H3.
What are the key properties of (2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine?
(2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine has a molecular weight of 279.36 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine is sourced from PubChem (CID 81480693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).