2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol

C19H27NO — CID 82313385

IUPAC2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol
SMILESCCCCNC(C(C)C)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C19H27NO/c1-4-5-12-20-18(14(2)3)19(21)17-11-10-15-8-6-7-9-16(15)13-17/h6-11,13-14,18-21H,4-5,12H2,1-3H3
InChIKeyAVMOYDMLSXJHNH-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.29
Rot. Bonds7

About 2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol

2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol (PubChem CID 82313385) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol
PubChem CID82313385
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol
SMILESCCCCNC(C(C)C)C(O)c1ccc2ccccc2c1
InChIInChI=1S/C19H27NO/c1-4-5-12-20-18(14(2)3)19(21)17-11-10-15-8-6-7-9-16(15)13-17/h6-11,13-14,18-21H,4-5,12H2,1-3H3
InChIKeyAVMOYDMLSXJHNH-UHFFFAOYSA-N
XLogP4.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.29
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)-1-naphthalen-2-ylbutan-1-ol
CID 82313363
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
N-(1-naphthalen-2-ylethyl)-3-propoxypropan-1-amine
CID 82941427
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine
CID 82262424
2-(butylamino)-1-(2,4-dimethylphenyl)-3-methylbutan-1-ol
CID 82313534
1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315957
N-ethyl-2,3-dimethyl-1-naphthalen-2-ylbutan-1-amine
CID 115851123
3-naphthalen-2-yl-N-propylbutan-2-amine
CID 66437220
1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82314062

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol?
The IUPAC name of 2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol (CID 82313385) is 2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol.
What is the SMILES notation for 2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol?
The canonical SMILES for 2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol is CCCCNC(C(C)C)C(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol?
The InChIKey is AVMOYDMLSXJHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-4-5-12-20-18(14(2)3)19(21)17-11-10-15-8-6-7-9-16(15)13-17/h6-11,13-14,18-21H,4-5,12H2,1-3H3.
What are the key properties of 2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol?
2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-3-methyl-1-naphthalen-2-ylbutan-1-ol is sourced from PubChem (CID 82313385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).