[3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol

C16H18FNO — CID 106529738

IUPAC[3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
SMILESCc1ccccc1CN(C)c1cc(F)cc(CO)c1
InChIInChI=1S/C16H18FNO/c1-12-5-3-4-6-14(12)10-18(2)16-8-13(11-19)7-15(17)9-16/h3-9,19H,10-11H2,1-2H3
InChIKeyHVLMXKZBQUJYPU-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.26
Rot. Bonds4

About [3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol

[3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol (PubChem CID 106529738) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is [3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
PubChem CID106529738
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name[3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
SMILESCc1ccccc1CN(C)c1cc(F)cc(CO)c1
InChIInChI=1S/C16H18FNO/c1-12-5-3-4-6-14(12)10-18(2)16-8-13(11-19)7-15(17)9-16/h3-9,19H,10-11H2,1-2H3
InChIKeyHVLMXKZBQUJYPU-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-5-fluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 102813489
[3-fluoro-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]methanol
CID 106529749
3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]benzaldehyde
CID 106529123
[3-chloro-4-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol
CID 81151392
[2-[methyl-[(2-methylphenyl)methyl]amino]-4-pyridinyl]methanol
CID 61411894
[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
CID 63077393
[3-fluoro-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]methanol
CID 106529830
3-(chloromethyl)-5-fluoro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 106530340
4-N-methyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 28894681
3-(chloromethyl)-5-fluoro-N-methyl-N-(2-methylphenyl)aniline
CID 106530412
1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 117041448
[4-[(2-bromophenyl)methyl-methylamino]-3,5-difluorophenyl]methanol
CID 63077747

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol?
The IUPAC name of [3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol (CID 106529738) is [3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol?
The canonical SMILES for [3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol is Cc1ccccc1CN(C)c1cc(F)cc(CO)c1.
What is the InChIKey of [3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol?
The InChIKey is HVLMXKZBQUJYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-12-5-3-4-6-14(12)10-18(2)16-8-13(11-19)7-15(17)9-16/h3-9,19H,10-11H2,1-2H3.
What are the key properties of [3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol?
[3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol has a molecular weight of 259.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[methyl-[(2-methylphenyl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 106529738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).