2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol

C17H23NO — CID 81419243

IUPAC2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNCc1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-3-17(2,13-19)12-18-11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,18-19H,3,11-13H2,1-2H3
InChIKeyHVBGCWJMCHQEOI-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.34
Rot. Bonds6

About 2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol

2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol (PubChem CID 81419243) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
PubChem CID81419243
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNCc1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-3-17(2,13-19)12-18-11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,18-19H,3,11-13H2,1-2H3
InChIKeyHVBGCWJMCHQEOI-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]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

N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
methyl 2,2-dimethyl-3-(naphthalen-1-ylmethylamino)propanoate
CID 79623968
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 115250859
3-methyl-3-(naphthalen-1-ylmethylamino)pentan-1-ol
CID 103774843
2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81411810
2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol
CID 103828079
2-chloro-2,2-difluoro-N-(naphthalen-1-ylmethyl)ethanamine
CID 23656681
2-[(1,3-benzothiazol-2-ylmethylamino)methyl]-2-methylbutan-1-ol
CID 81411411
2-methyl-N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526416
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
2-methylidene-N-(naphthalen-1-ylmethyl)butan-1-amine
CID 66045234

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol (CID 81419243) is 2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol is CCC(C)(CO)CNCc1cccc2ccccc12.
What is the InChIKey of 2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol?
The InChIKey is HVBGCWJMCHQEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-17(2,13-19)12-18-11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,18-19H,3,11-13H2,1-2H3.
What are the key properties of 2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol?
2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol is sourced from PubChem (CID 81419243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).