2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol

C17H21NO — CID 70462318

IUPAC2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
SMILESCc1cccc(C)c1CNCC(O)c1ccccc1
InChIInChI=1S/C17H21NO/c1-13-7-6-8-14(2)16(13)11-18-12-17(19)15-9-4-3-5-10-15/h3-10,17-19H,11-12H2,1-2H3
InChIKeyQSCJHOLNRIEMGQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.13
Rot. Bonds5

About 2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol

2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol (PubChem CID 70462318) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
PubChem CID70462318
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol
SMILESCc1cccc(C)c1CNCC(O)c1ccccc1
InChIInChI=1S/C17H21NO/c1-13-7-6-8-14(2)16(13)11-18-12-17(19)15-9-4-3-5-10-15/h3-10,17-19H,11-12H2,1-2H3
InChIKeyQSCJHOLNRIEMGQ-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728
(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol
CID 7248561
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103908815
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
2-[(2-hydroxy-2-phenylethyl)amino]-N-(2-methylphenyl)acetamide
CID 43389775
1-phenyl-2-(prop-2-ynylamino)ethanol
CID 4724225

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol (CID 70462318) is 2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol is Cc1cccc(C)c1CNCC(O)c1ccccc1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol?
The InChIKey is QSCJHOLNRIEMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-7-6-8-14(2)16(13)11-18-12-17(19)15-9-4-3-5-10-15/h3-10,17-19H,11-12H2,1-2H3.
What are the key properties of 2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol?
2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol has a molecular weight of 255.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 70462318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).