[3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol

C15H16FNO — CID 83962362

IUPAC[3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol
SMILESCc1ccc(CO)cc1NCc1ccccc1F
InChIInChI=1S/C15H16FNO/c1-11-6-7-12(10-18)8-15(11)17-9-13-4-2-3-5-14(13)16/h2-8,17-18H,9-10H2,1H3
InChIKeyLSZBAWGYJXQJCK-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.24
Rot. Bonds4

About [3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol

[3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol (PubChem CID 83962362) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol
PubChem CID83962362
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name[3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol
SMILESCc1ccc(CO)cc1NCc1ccccc1F
InChIInChI=1S/C15H16FNO/c1-11-6-7-12(10-18)8-15(11)17-9-13-4-2-3-5-14(13)16/h2-8,17-18H,9-10H2,1H3
InChIKeyLSZBAWGYJXQJCK-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230210
2-N-[(2-fluorophenyl)methyl]-4,5-dimethylbenzene-1,2-diamine
CID 115126755
2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol
CID 112606277
2,5-dichloro-N-[(2-fluorophenyl)methyl]-4-methylaniline
CID 104726385
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126121051
1-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 43221037
2-(5-fluoro-2-methylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31667661
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
2-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55244992
N-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126126202

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol?
The IUPAC name of [3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol (CID 83962362) is [3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol.
What is the SMILES notation for [3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol?
The canonical SMILES for [3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol is Cc1ccc(CO)cc1NCc1ccccc1F.
What is the InChIKey of [3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol?
The InChIKey is LSZBAWGYJXQJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-6-7-12(10-18)8-15(11)17-9-13-4-2-3-5-14(13)16/h2-8,17-18H,9-10H2,1H3.
What are the key properties of [3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol?
[3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol has a molecular weight of 245.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methylamino]-4-methylphenyl]methanol is sourced from PubChem (CID 83962362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).