[4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol

C15H16FNO — CID 110006750

IUPAC[4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol
SMILESCc1cc(F)cc(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C15H16FNO/c1-11-6-14(16)8-15(7-11)17-9-12-2-4-13(10-18)5-3-12/h2-8,17-18H,9-10H2,1H3
InChIKeyHXXIBUUEITUBLK-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.24
Rot. Bonds4

About [4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol

[4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol (PubChem CID 110006750) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is [4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol
PubChem CID110006750
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name[4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol
SMILESCc1cc(F)cc(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C15H16FNO/c1-11-6-14(16)8-15(7-11)17-9-12-2-4-13(10-18)5-3-12/h2-8,17-18H,9-10H2,1H3
InChIKeyHXXIBUUEITUBLK-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-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline
CID 79055605
2-fluoro-4-[(3-fluoro-5-methylanilino)methyl]phenol
CID 107685847
4-[(3-fluoro-5-methylanilino)methyl]benzamide
CID 79054394
N-[(4-bromo-3-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 81436065
3,5-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 55245178
N-[[4-(difluoromethyl)phenyl]methyl]-3,5-dimethylaniline
CID 115523457
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
N-[(4-bromo-3-fluorophenyl)methyl]-3,5-dimethylaniline
CID 81436699
N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-5-methylaniline
CID 79054546
3-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053885
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
2-[2-[(3-fluoro-5-methylanilino)methyl]phenyl]acetic acid
CID 115462142

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol?
The IUPAC name of [4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol (CID 110006750) is [4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol is Cc1cc(F)cc(NCc2ccc(CO)cc2)c1.
What is the InChIKey of [4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol?
The InChIKey is HXXIBUUEITUBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-6-14(16)8-15(7-11)17-9-12-2-4-13(10-18)5-3-12/h2-8,17-18H,9-10H2,1H3.
What are the key properties of [4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol?
[4-[(3-fluoro-5-methylanilino)methyl]phenyl]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 [4-[(3-fluoro-5-methylanilino)methyl]phenyl]methanol is sourced from PubChem (CID 110006750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).