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

C16H21NO — CID 111469119

IUPAC3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol
SMILESCC(C)(CCO)NCc1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-16(2,9-10-18)17-12-13-7-8-14-5-3-4-6-15(14)11-13/h3-8,11,17-18H,9-10,12H2,1-2H3
InChIKeyJTJUIUNNIQNBMV-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.09
Rot. Bonds5

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

3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol (PubChem CID 111469119) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol
PubChem CID111469119
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol
SMILESCC(C)(CCO)NCc1ccc2ccccc2c1
InChIInChI=1S/C16H21NO/c1-16(2,9-10-18)17-12-13-7-8-14-5-3-4-6-15(14)11-13/h3-8,11,17-18H,9-10,12H2,1-2H3
InChIKeyJTJUIUNNIQNBMV-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze 3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-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

3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol
CID 105378717
3-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 115702691
3-[(4-chloro-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 111469040
3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol
CID 115134045
3-(ethylamino)-3-naphthalen-2-ylbutan-1-ol
CID 65240126
3-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 111469026
2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine
CID 119929198
3-[[4-(diethylamino)-3-fluorophenyl]methylamino]-3-methylbutan-1-ol
CID 111469072
3-(furan-3-ylmethylamino)-3-methylbutan-1-ol
CID 115655869
4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide
CID 111469022
2-[[3-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]phenoxy]methyl]benzonitrile
CID 111469092
2-methyl-N-(quinolin-6-ylmethyl)pentan-2-amine
CID 113234424

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol?
The IUPAC name of 3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol (CID 111469119) is 3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol.
What is the SMILES notation for 3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol?
The canonical SMILES for 3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol is CC(C)(CCO)NCc1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol?
The InChIKey is JTJUIUNNIQNBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(2,9-10-18)17-12-13-7-8-14-5-3-4-6-15(14)11-13/h3-8,11,17-18H,9-10,12H2,1-2H3.
What are the key properties of 3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol?
3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol is sourced from PubChem (CID 111469119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).