1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol

C17H23NO2 — CID 63679069

IUPAC1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H23NO2/c1-4-17(2,19)12-18-11-13-5-6-15-10-16(20-3)8-7-14(15)9-13/h5-10,18-19H,4,11-12H2,1-3H3
InChIKeyARKRPGDFLVYGFU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.10
Rot. Bonds6

About 1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol

1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol (PubChem CID 63679069) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol
PubChem CID63679069
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNCc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C17H23NO2/c1-4-17(2,19)12-18-11-13-5-6-15-10-16(20-3)8-7-14(15)9-13/h5-10,18-19H,4,11-12H2,1-3H3
InChIKeyARKRPGDFLVYGFU-UHFFFAOYSA-N
XLogP3.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-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

1-[(3,4-dichlorophenyl)methylamino]-2-methylbutan-2-ol
CID 63680596
N-[(6-methoxynaphthalen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83141221
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
N'-[(6-methoxynaphthalen-2-yl)methyl]ethane-1,2-diamine
CID 60887556
1-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylbutan-2-ol
CID 65108512
1-[(4-iodophenyl)methylamino]-2-methylbutan-2-ol
CID 65478827
1-[(3-methoxy-5-nitrophenyl)methylamino]-2-methylbutan-2-ol
CID 81154709
3-[(6-methoxynaphthalen-2-yl)methylamino]propane-1,2-diol
CID 66175454
methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 104643690
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115655584
1-(1,3-benzodioxol-5-ylmethylamino)-2-methylbutan-2-ol
CID 65107806
3-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-methylpropane-1,2-diol
CID 66168561

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol (CID 63679069) is 1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol is CCC(C)(O)CNCc1ccc2cc(OC)ccc2c1.
What is the InChIKey of 1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol?
The InChIKey is ARKRPGDFLVYGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-17(2,19)12-18-11-13-5-6-15-10-16(20-3)8-7-14(15)9-13/h5-10,18-19H,4,11-12H2,1-3H3.
What are the key properties of 1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol?
1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol has a molecular weight of 273.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxynaphthalen-2-yl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 63679069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).