5-(naphthalen-1-ylmethylamino)pentan-2-ol

C16H21NO — CID 107267647

IUPAC5-(naphthalen-1-ylmethylamino)pentan-2-ol
SMILESCC(O)CCCNCc1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-13(18)6-5-11-17-12-15-9-4-8-14-7-2-3-10-16(14)15/h2-4,7-10,13,17-18H,5-6,11-12H2,1H3
InChIKeyPNCPFRMZVGQXQH-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.09
Rot. Bonds6

About 5-(naphthalen-1-ylmethylamino)pentan-2-ol

5-(naphthalen-1-ylmethylamino)pentan-2-ol (PubChem CID 107267647) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethylamino)pentan-2-ol
PubChem CID107267647
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name5-(naphthalen-1-ylmethylamino)pentan-2-ol
SMILESCC(O)CCCNCc1cccc2ccccc12
InChIInChI=1S/C16H21NO/c1-13(18)6-5-11-17-12-15-9-4-8-14-7-2-3-10-16(14)15/h2-4,7-10,13,17-18H,5-6,11-12H2,1H3
InChIKeyPNCPFRMZVGQXQH-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
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

7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
5-[(2-ethylphenyl)methylamino]pentan-2-ol
CID 106122637
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
CID 59694789
CID 59694789
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol
CID 107267707
1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
CID 171155033
methyl 4-(naphthalen-1-ylmethylamino)butanoate
CID 60676758
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
4-[(4-hydroxypentylamino)methyl]benzene-1,3-diol
CID 107267932

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethylamino)pentan-2-ol?
The IUPAC name of 5-(naphthalen-1-ylmethylamino)pentan-2-ol (CID 107267647) is 5-(naphthalen-1-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 5-(naphthalen-1-ylmethylamino)pentan-2-ol?
The canonical SMILES for 5-(naphthalen-1-ylmethylamino)pentan-2-ol is CC(O)CCCNCc1cccc2ccccc12.
What is the InChIKey of 5-(naphthalen-1-ylmethylamino)pentan-2-ol?
The InChIKey is PNCPFRMZVGQXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-13(18)6-5-11-17-12-15-9-4-8-14-7-2-3-10-16(14)15/h2-4,7-10,13,17-18H,5-6,11-12H2,1H3.
What are the key properties of 5-(naphthalen-1-ylmethylamino)pentan-2-ol?
5-(naphthalen-1-ylmethylamino)pentan-2-ol has a molecular weight of 243.35 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 5-(naphthalen-1-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 107267647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).