3-naphthalen-1-yl-3-(propylamino)butan-1-ol

C17H23NO — CID 65234850

IUPAC3-naphthalen-1-yl-3-(propylamino)butan-1-ol
SMILESCCCNC(C)(CCO)c1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-3-12-18-17(2,11-13-19)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,18-19H,3,11-13H2,1-2H3
InChIKeyIHGMLOBJRMWEPL-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.44
Rot. Bonds6

About 3-naphthalen-1-yl-3-(propylamino)butan-1-ol

3-naphthalen-1-yl-3-(propylamino)butan-1-ol (PubChem CID 65234850) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-naphthalen-1-yl-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name3-naphthalen-1-yl-3-(propylamino)butan-1-ol
PubChem CID65234850
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-naphthalen-1-yl-3-(propylamino)butan-1-ol
SMILESCCCNC(C)(CCO)c1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-3-12-18-17(2,11-13-19)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,18-19H,3,11-13H2,1-2H3
InChIKeyIHGMLOBJRMWEPL-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-2-(propylamino)propan-1-ol
CID 61055182
4-naphthalen-1-ylheptan-4-ol
CID 114866255
4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol
CID 66089361
2-(2-methoxyphenyl)-2-(propylamino)propan-1-ol
CID 61057006
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
2-(2-ethoxyphenyl)-2-(propylamino)propan-1-ol
CID 61056385
3-methyl-3-(naphthalen-1-ylmethylamino)pentan-1-ol
CID 103774843
1-(tert-butylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774382
3-methyl-5-phenyl-3-(propylamino)pentan-1-ol
CID 65234500
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
3-(ethylamino)-3-naphthalen-2-ylbutan-1-ol
CID 65240126
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
CID 79830054

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-3-(propylamino)butan-1-ol?
The IUPAC name of 3-naphthalen-1-yl-3-(propylamino)butan-1-ol (CID 65234850) is 3-naphthalen-1-yl-3-(propylamino)butan-1-ol.
What is the SMILES notation for 3-naphthalen-1-yl-3-(propylamino)butan-1-ol?
The canonical SMILES for 3-naphthalen-1-yl-3-(propylamino)butan-1-ol is CCCNC(C)(CCO)c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yl-3-(propylamino)butan-1-ol?
The InChIKey is IHGMLOBJRMWEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-12-18-17(2,11-13-19)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,18-19H,3,11-13H2,1-2H3.
What are the key properties of 3-naphthalen-1-yl-3-(propylamino)butan-1-ol?
3-naphthalen-1-yl-3-(propylamino)butan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-3-(propylamino)butan-1-ol is sourced from PubChem (CID 65234850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).