3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol

C17H23NO — CID 115217334

IUPAC3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol
SMILESCC(C)(CNCCCO)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c1-17(2,13-18-10-5-11-19)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12,18-19H,5,10-11,13H2,1-2H3
InChIKeyWTXNHOOVROFNIE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.09
Rot. Bonds6

About 3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol

3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol (PubChem CID 115217334) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol
PubChem CID115217334
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol
SMILESCC(C)(CNCCCO)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c1-17(2,13-18-10-5-11-19)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12,18-19H,5,10-11,13H2,1-2H3
InChIKeyWTXNHOOVROFNIE-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

n-Methyl-1-(1-(naphthalen-2-yl)cyclohexyl)ethanamine
CID 53319832
N-Desmethylhydroxyterbinafine
CID 21917707
3-[(1-Naphthylmethyl)amino]propan-1-OL
CID 664896
N-methyl-(1-(naphthalen-2-yl)cyclohexyl)-methanamine
CID 51346820
1,3-Propanediol, 2-methyl-2-((1-phenanthrenylmethyl)amino)-, hydrochloride
CID 149660
1,3-Propanediol, 2-methyl-2-((4-phenanthrenylmethyl)amino)-, hydrochloride
CID 150413
1,3-Propanediol, 2-methyl-2-((3-phenanthrenylmethyl)amino)-, hydrochloride
CID 150415
1,3-Propanediol, 2-methyl-2-((9-phenanthrenylmethyl)amino)-, hydrochloride
CID 150417
1,3-Propanediol, 2-methyl-2-((2-phenanthrenylmethyl)amino)-, hydrochloride
CID 150419
1,3-Propanediol, 2-((1-anthracenylmethyl)amino)-2-methyl-, hydrochloride
CID 150421
(2R,3R)-1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol;hydrochloride
CID 45262335
1-[(Naphthalen-1-ylmethyl)-amino]-propan-2-OL hydrochloride
CID 9549578

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol?
The IUPAC name of 3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol (CID 115217334) is 3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol is CC(C)(CNCCCO)c1ccc2ccccc2c1.
What is the InChIKey of 3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol?
The InChIKey is WTXNHOOVROFNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2,13-18-10-5-11-19)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12,18-19H,5,10-11,13H2,1-2H3.
What are the key properties of 3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol?
3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2-naphthalen-2-ylpropyl)amino]propan-1-ol is sourced from PubChem (CID 115217334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).