1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol

C23H27NO2 — CID 3275243

IUPAC1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCCc1ccc(CN(C)CC(O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C23H27NO2/c1-3-18-11-13-19(14-12-18)15-24(2)16-21(25)17-26-23-10-6-8-20-7-4-5-9-22(20)23/h4-14,21,25H,3,15-17H2,1-2H3
InChIKeyYZFWDYAPPWGHIE-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.27
Rot. Bonds8

About 1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol

1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 3275243) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol
PubChem CID3275243
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol
SMILESCCc1ccc(CN(C)CC(O)COc2cccc3ccccc23)cc1
InChIInChI=1S/C23H27NO2/c1-3-18-11-13-19(14-12-18)15-24(2)16-21(25)17-26-23-10-6-8-20-7-4-5-9-22(20)23/h4-14,21,25H,3,15-17H2,1-2H3
InChIKeyYZFWDYAPPWGHIE-UHFFFAOYSA-N
XLogP4.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Propranolol
CID 4946
Propranolol Hydrochloride
CID 62882
Dexpropranolol
CID 21138
Dapoxetine
CID 71353
Dexpropranolol Hydrochloride
CID 66366
Levopropranolol
CID 91536
Levopropranolol hydrochloride
CID 165193
Pranolium Chloride
CID 39328
2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)-
CID 200475
2-Propanol, 1-benzylamino-3-(naphthyloxy)-
CID 205773
4-Morpholineethanol, alpha-((1-naphthalenyloxy)methyl)-
CID 98212
Dapoxetine Hydrochloride
CID 71352

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol (CID 3275243) is 1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol is CCc1ccc(CN(C)CC(O)COc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is YZFWDYAPPWGHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-3-18-11-13-19(14-12-18)15-24(2)16-21(25)17-26-23-10-6-8-20-7-4-5-9-22(20)23/h4-14,21,25H,3,15-17H2,1-2H3.
What are the key properties of 1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol?
1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 349.47 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl-methylamino]-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 3275243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).