(3-amino-4-benzyl-2-methylphenyl)methanol

C15H17NO — CID 70423661

IUPAC(3-amino-4-benzyl-2-methylphenyl)methanol
SMILESCc1c(CO)ccc(Cc2ccccc2)c1N
InChIInChI=1S/C15H17NO/c1-11-14(10-17)8-7-13(15(11)16)9-12-5-3-2-4-6-12/h2-8,17H,9-10,16H2,1H3
InChIKeyLMKBIVOXXVZLLJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.66
Rot. Bonds3

About (3-amino-4-benzyl-2-methylphenyl)methanol

(3-amino-4-benzyl-2-methylphenyl)methanol (PubChem CID 70423661) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (3-amino-4-benzyl-2-methylphenyl)methanol.

Molecular Properties

Compound Name(3-amino-4-benzyl-2-methylphenyl)methanol
PubChem CID70423661
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(3-amino-4-benzyl-2-methylphenyl)methanol
SMILESCc1c(CO)ccc(Cc2ccccc2)c1N
InChIInChI=1S/C15H17NO/c1-11-14(10-17)8-7-13(15(11)16)9-12-5-3-2-4-6-12/h2-8,17H,9-10,16H2,1H3
InChIKeyLMKBIVOXXVZLLJ-UHFFFAOYSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-3-methylaniline
CID 12846586
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
[4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408263
(4-benzyl-2,3-dimethylphenyl)azanium chloride
CID 21115446
2,4-dibenzyl-6-ethylaniline
CID 175391866
4-benzyl-2,3-dimethylaniline;2,2,2-trifluoroacetic acid
CID 173031440
6-benzylquinolin-5-amine
CID 15441702
(1-methylnaphthalen-2-yl)methanol
CID 15054223
[5-benzyl-3-(hydroxymethyl)-2-sulfanylphenyl]methanol
CID 154195434
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
(4-benzyl-2,3-dimethylphenyl)-triphenylphosphanium
CID 174975993
[2-[[2-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methanol
CID 10317524

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-benzyl-2-methylphenyl)methanol?
The IUPAC name of (3-amino-4-benzyl-2-methylphenyl)methanol (CID 70423661) is (3-amino-4-benzyl-2-methylphenyl)methanol.
What is the SMILES notation for (3-amino-4-benzyl-2-methylphenyl)methanol?
The canonical SMILES for (3-amino-4-benzyl-2-methylphenyl)methanol is Cc1c(CO)ccc(Cc2ccccc2)c1N.
What is the InChIKey of (3-amino-4-benzyl-2-methylphenyl)methanol?
The InChIKey is LMKBIVOXXVZLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-14(10-17)8-7-13(15(11)16)9-12-5-3-2-4-6-12/h2-8,17H,9-10,16H2,1H3.
What are the key properties of (3-amino-4-benzyl-2-methylphenyl)methanol?
(3-amino-4-benzyl-2-methylphenyl)methanol has a molecular weight of 227.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-benzyl-2-methylphenyl)methanol is sourced from PubChem (CID 70423661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).