3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol

C17H23NO — CID 115677077

IUPAC3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol
SMILESCC(NCC(O)C(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-12(2)17(19)11-18-13(3)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,12-13,17-19H,11H2,1-3H3
InChIKeyVENBVBKFQXORPL-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.51
Rot. Bonds5

About 3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol

3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol (PubChem CID 115677077) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol
PubChem CID115677077
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol
SMILESCC(NCC(O)C(C)C)c1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-12(2)17(19)11-18-13(3)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,12-13,17-19H,11H2,1-3H3
InChIKeyVENBVBKFQXORPL-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-amino-1-[[(1R)-1-naphthalen-1-ylethyl]amino]-4-phenylbutan-2-ol
CID 142662293
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
CID 43094255
1-(4-chlorophenyl)-2-(1-naphthalen-1-ylethylamino)ethanol
CID 42942251
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
1-(6-methyl-3-pyridinyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]ethanol
CID 167942481
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
3-(methylamino)-1-naphthalen-1-ylpropane-1,2-diol
CID 171858135
N-(1-naphthalen-1-ylethyl)but-3-en-1-amine
CID 115899601
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol?
The IUPAC name of 3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol (CID 115677077) is 3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol?
The canonical SMILES for 3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol is CC(NCC(O)C(C)C)c1cccc2ccccc12.
What is the InChIKey of 3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol?
The InChIKey is VENBVBKFQXORPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12(2)17(19)11-18-13(3)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,12-13,17-19H,11H2,1-3H3.
What are the key properties of 3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol?
3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol has a molecular weight of 257.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-naphthalen-1-ylethylamino)butan-2-ol is sourced from PubChem (CID 115677077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).