2-[(S)-amino(phenyl)methyl]-4-methylphenol

C14H15NO — CID 131560802

IUPAC2-[(S)-amino(phenyl)methyl]-4-methylphenol
SMILESCc1ccc(O)c([C@@H](N)c2ccccc2)c1
InChIInChI=1S/C14H15NO/c1-10-7-8-13(16)12(9-10)14(15)11-5-3-2-4-6-11/h2-9,14,16H,15H2,1H3/t14-/m0/s1
InChIKeyVTZXYHOEPKJIGE-AWEZNQCLSA-N
MW213.28 g/mol
LogP2.75
Rot. Bonds2

About 2-[(S)-amino(phenyl)methyl]-4-methylphenol

2-[(S)-amino(phenyl)methyl]-4-methylphenol (PubChem CID 131560802) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(S)-amino(phenyl)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(S)-amino(phenyl)methyl]-4-methylphenol
PubChem CID131560802
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-[(S)-amino(phenyl)methyl]-4-methylphenol
SMILESCc1ccc(O)c([C@@H](N)c2ccccc2)c1
InChIInChI=1S/C14H15NO/c1-10-7-8-13(16)12(9-10)14(15)11-5-3-2-4-6-11/h2-9,14,16H,15H2,1H3/t14-/m0/s1
InChIKeyVTZXYHOEPKJIGE-AWEZNQCLSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride
CID 167531061
2-[(S)-amino(thiophen-3-yl)methyl]-4-methylphenol
CID 171202323
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
CID 23156103
2-[(1S)-3-hydroxy-1-phenylpropyl]-4-methylphenol
CID 16754102
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
2-[(1R)-3-(dimethylamino)-1-phenylpropyl]-4-methylphenol
CID 59775365
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 55293346
2-[4,4-bis(dimethylamino)-1-phenylbutyl]-4-methylphenol
CID 16752583
4-methyl-2-[phenyl(piperidin-1-yl)methyl]phenol
CID 3843964
[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl] methanesulfonate
CID 142685942
2-[3-[[3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl]-propan-2-ylamino]-1-phenylpropyl]-4-methylphenol
CID 10074968
2-[(1R)-1,3-diaminopropyl]-4-methylphenol
CID 130972220

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(phenyl)methyl]-4-methylphenol?
The IUPAC name of 2-[(S)-amino(phenyl)methyl]-4-methylphenol (CID 131560802) is 2-[(S)-amino(phenyl)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(S)-amino(phenyl)methyl]-4-methylphenol?
The canonical SMILES for 2-[(S)-amino(phenyl)methyl]-4-methylphenol is Cc1ccc(O)c([C@@H](N)c2ccccc2)c1.
What is the InChIKey of 2-[(S)-amino(phenyl)methyl]-4-methylphenol?
The InChIKey is VTZXYHOEPKJIGE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-7-8-13(16)12(9-10)14(15)11-5-3-2-4-6-11/h2-9,14,16H,15H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(S)-amino(phenyl)methyl]-4-methylphenol?
2-[(S)-amino(phenyl)methyl]-4-methylphenol has a molecular weight of 213.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(phenyl)methyl]-4-methylphenol is sourced from PubChem (CID 131560802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).