2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol

C22H25NO — CID 59570700

IUPAC2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol
SMILESCC(C)N(Cc1ccccc1)CC(O)c1ccc2ccccc2c1
InChIInChI=1S/C22H25NO/c1-17(2)23(15-18-8-4-3-5-9-18)16-22(24)21-13-12-19-10-6-7-11-20(19)14-21/h3-14,17,22,24H,15-16H2,1-2H3
InChIKeyGHRMGACLEDTCAB-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.78
Rot. Bonds6

About 2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol

2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol (PubChem CID 59570700) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol
PubChem CID59570700
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol
SMILESCC(C)N(Cc1ccccc1)CC(O)c1ccc2ccccc2c1
InChIInChI=1S/C22H25NO/c1-17(2)23(15-18-8-4-3-5-9-18)16-22(24)21-13-12-19-10-6-7-11-20(19)14-21/h3-14,17,22,24H,15-16H2,1-2H3
InChIKeyGHRMGACLEDTCAB-UHFFFAOYSA-N
XLogP4.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20631904
Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
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AN-1792
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Butidrine
CID 15177
{2-[1-(Dimethylamino)ethyl]phenyl}(2,4-dimethylphenyl)phenylmethanol
CID 2854345
[2-(1-Dimethylamino-ethyl)-phenyl]-diphenyl-methanol
CID 2854401
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylethanol
CID 436348
1-(2-Naphthyl)-3-(4-phenyl-1-piperidyl)propan-2-ol
CID 369971
Pronetalol, (R)-
CID 6604181
alpha-[[Methyl-[[2'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methyl]amino]methyl]-benzenemethanol
CID 10249485

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol (CID 59570700) is 2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol is CC(C)N(Cc1ccccc1)CC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol?
The InChIKey is GHRMGACLEDTCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-17(2)23(15-18-8-4-3-5-9-18)16-22(24)21-13-12-19-10-6-7-11-20(19)14-21/h3-14,17,22,24H,15-16H2,1-2H3.
What are the key properties of 2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol?
2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol has a molecular weight of 319.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 59570700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).