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

C17H23NO — CID 115137751

IUPAC3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol
SMILESCC(C)C(CO)NCCc1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-13(2)17(12-19)18-11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17-19H,10-12H2,1-2H3
InChIKeyQRYHAWZSJPZYIB-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.99
Rot. Bonds6

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

3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol (PubChem CID 115137751) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol
PubChem CID115137751
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol
SMILESCC(C)C(CO)NCCc1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-13(2)17(12-19)18-11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17-19H,10-12H2,1-2H3
InChIKeyQRYHAWZSJPZYIB-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137737
N-(1-hydroxy-3-methylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 79252551
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
(2-naphthalen-1-ylethylamino)methanol
CID 115229403
2-amino-3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115180118
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
3-naphthalen-1-ylpropan-1-ol
CID 14711518
ethane;2-naphthalen-1-ylethanol
CID 145119048
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-naphthalen-1-ylacetamide
CID 86786954
2-[2-(2,5-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137699
1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea
CID 110892453
3-amino-N-(2-naphthalen-1-ylethyl)butanamide
CID 115154377

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol?
The IUPAC name of 3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol (CID 115137751) is 3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol?
The canonical SMILES for 3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol is CC(C)C(CO)NCCc1cccc2ccccc12.
What is the InChIKey of 3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol?
The InChIKey is QRYHAWZSJPZYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(2)17(12-19)18-11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17-19H,10-12H2,1-2H3.
What are the key properties of 3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol?
3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-naphthalen-1-ylethylamino)butan-1-ol is sourced from PubChem (CID 115137751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).