2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol

C19H25NO — CID 46007541

IUPAC2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol
SMILESCc1ccc(CN(CC(O)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C19H25NO/c1-15(2)20(13-17-11-9-16(3)10-12-17)14-19(21)18-7-5-4-6-8-18/h4-12,15,19,21H,13-14H2,1-3H3
InChIKeyDILINDYXOZJZJE-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.94
Rot. Bonds6

About 2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol

2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol (PubChem CID 46007541) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol
PubChem CID46007541
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol
SMILESCc1ccc(CN(CC(O)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C19H25NO/c1-15(2)20(13-17-11-9-16(3)10-12-17)14-19(21)18-7-5-4-6-8-18/h4-12,15,19,21H,13-14H2,1-3H3
InChIKeyDILINDYXOZJZJE-UHFFFAOYSA-N
XLogP3.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
(1R)-2-[[(2R)-butan-2-yl]-[(2,5-dimethylphenyl)methyl]amino]-1-phenylethanol
CID 93147271
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
2-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-1-phenylethanol
CID 42837199
2-[benzyl(propan-2-yl)amino]-1-(4-cyclopentylphenyl)ethanol;(Z)-but-2-enedioic acid;hydrate
CID 90476818
CID 16686302
CID 16686302
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
2-[ethyl(propan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949204
(2S)-1-[(3-methylphenyl)methyl-propan-2-ylamino]-3-phenylpropan-2-ol
CID 93162276
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propanoic acid
CID 119139225

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol?
The IUPAC name of 2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol (CID 46007541) is 2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol?
The canonical SMILES for 2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol is Cc1ccc(CN(CC(O)c2ccccc2)C(C)C)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol?
The InChIKey is DILINDYXOZJZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)20(13-17-11-9-16(3)10-12-17)14-19(21)18-7-5-4-6-8-18/h4-12,15,19,21H,13-14H2,1-3H3.
What are the key properties of 2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol?
2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol has a molecular weight of 283.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol is sourced from PubChem (CID 46007541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).