2-(butylamino)-1-naphthalen-2-ylbutan-1-ol

C18H25NO — CID 82313363

IUPAC2-(butylamino)-1-naphthalen-2-ylbutan-1-ol
SMILESCCCCNC(CC)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-3-5-12-19-17(4-2)18(20)16-11-10-14-8-6-7-9-15(14)13-16/h6-11,13,17-20H,3-5,12H2,1-2H3
InChIKeyULIXRPPERILPRC-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.04
Rot. Bonds7

About 2-(butylamino)-1-naphthalen-2-ylbutan-1-ol

2-(butylamino)-1-naphthalen-2-ylbutan-1-ol (PubChem CID 82313363) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(butylamino)-1-naphthalen-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-(butylamino)-1-naphthalen-2-ylbutan-1-ol
PubChem CID82313363
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(butylamino)-1-naphthalen-2-ylbutan-1-ol
SMILESCCCCNC(CC)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-3-5-12-19-17(4-2)18(20)16-11-10-14-8-6-7-9-15(14)13-16/h6-11,13,17-20H,3-5,12H2,1-2H3
InChIKeyULIXRPPERILPRC-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.04
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

2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 82313385
2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol
CID 82313925
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
1-(4-fluoro-3-methylphenyl)-2-(hexylamino)butan-1-ol
CID 82315089
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 63413588
2-naphthalen-2-yl-2-(propylamino)ethanol
CID 61055183
4-hydroxy-3-(methylamino)-4-naphthalen-2-ylbutanoic acid
CID 82348116
1-(4-fluorophenyl)-2-(propylamino)butan-1-ol
CID 82313150
(1R)-2,2-diethoxy-1-naphthalen-2-ylethanol
CID 102400657
2-octan-3-ylnaphthalene
CID 14029920
N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine
CID 82262424

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-1-naphthalen-2-ylbutan-1-ol?
The IUPAC name of 2-(butylamino)-1-naphthalen-2-ylbutan-1-ol (CID 82313363) is 2-(butylamino)-1-naphthalen-2-ylbutan-1-ol.
What is the SMILES notation for 2-(butylamino)-1-naphthalen-2-ylbutan-1-ol?
The canonical SMILES for 2-(butylamino)-1-naphthalen-2-ylbutan-1-ol is CCCCNC(CC)C(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(butylamino)-1-naphthalen-2-ylbutan-1-ol?
The InChIKey is ULIXRPPERILPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-5-12-19-17(4-2)18(20)16-11-10-14-8-6-7-9-15(14)13-16/h6-11,13,17-20H,3-5,12H2,1-2H3.
What are the key properties of 2-(butylamino)-1-naphthalen-2-ylbutan-1-ol?
2-(butylamino)-1-naphthalen-2-ylbutan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-1-naphthalen-2-ylbutan-1-ol is sourced from PubChem (CID 82313363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).