[4-[(2,3-dimethylanilino)methyl]phenyl]methanol

C16H19NO — CID 112630874

IUPAC[4-[(2,3-dimethylanilino)methyl]phenyl]methanol
SMILESCc1cccc(NCc2ccc(CO)cc2)c1C
InChIInChI=1S/C16H19NO/c1-12-4-3-5-16(13(12)2)17-10-14-6-8-15(11-18)9-7-14/h3-9,17-18H,10-11H2,1-2H3
InChIKeyQRZCKVWKXZGIBP-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.41
Rot. Bonds4

About [4-[(2,3-dimethylanilino)methyl]phenyl]methanol

[4-[(2,3-dimethylanilino)methyl]phenyl]methanol (PubChem CID 112630874) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [4-[(2,3-dimethylanilino)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2,3-dimethylanilino)methyl]phenyl]methanol
PubChem CID112630874
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[4-[(2,3-dimethylanilino)methyl]phenyl]methanol
SMILESCc1cccc(NCc2ccc(CO)cc2)c1C
InChIInChI=1S/C16H19NO/c1-12-4-3-5-16(13(12)2)17-10-14-6-8-15(11-18)9-7-14/h3-9,17-18H,10-11H2,1-2H3
InChIKeyQRZCKVWKXZGIBP-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-2,3-dimethylaniline
CID 40632168
2,3-dimethyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437518
2-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylbenzonitrile
CID 107804618
N-benzyl-2,3-dimethylaniline;formic acid
CID 175448541
N-benzyl-2,3-dimethylaniline;propanoic acid
CID 175448532
benzoic acid;N-benzyl-2,3-dimethylaniline
CID 175448548
N-benzyl-2,3-dimethylaniline;terephthalic acid
CID 175448533
[4-[[2-methyl-3-(methylsulfonylmethyl)anilino]methyl]phenyl]methanol
CID 110006666
N-[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]benzamide
CID 110006557
2,6-dichloro-4-[(2,3-dimethylanilino)methyl]phenol
CID 126121984
2,3-dimethyl-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 39384066
2-[(2,3-dimethylanilino)methyl]phenol
CID 3236047

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-dimethylanilino)methyl]phenyl]methanol?
The IUPAC name of [4-[(2,3-dimethylanilino)methyl]phenyl]methanol (CID 112630874) is [4-[(2,3-dimethylanilino)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(2,3-dimethylanilino)methyl]phenyl]methanol?
The canonical SMILES for [4-[(2,3-dimethylanilino)methyl]phenyl]methanol is Cc1cccc(NCc2ccc(CO)cc2)c1C.
What is the InChIKey of [4-[(2,3-dimethylanilino)methyl]phenyl]methanol?
The InChIKey is QRZCKVWKXZGIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-4-3-5-16(13(12)2)17-10-14-6-8-15(11-18)9-7-14/h3-9,17-18H,10-11H2,1-2H3.
What are the key properties of [4-[(2,3-dimethylanilino)methyl]phenyl]methanol?
[4-[(2,3-dimethylanilino)methyl]phenyl]methanol has a molecular weight of 241.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-dimethylanilino)methyl]phenyl]methanol is sourced from PubChem (CID 112630874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).