N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine

C17H23NO — CID 62693267

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1c(OC)ccc2ccccc12
InChIInChI=1S/C17H23NO/c1-4-13(2)11-18-12-16-15-8-6-5-7-14(15)9-10-17(16)19-3/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyQGTKCVPLSYANTA-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.98
Rot. Bonds6

About N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine

N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine (PubChem CID 62693267) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
PubChem CID62693267
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1c(OC)ccc2ccccc12
InChIInChI=1S/C17H23NO/c1-4-13(2)11-18-12-16-15-8-6-5-7-14(15)9-10-17(16)19-3/h5-10,13,18H,4,11-12H2,1-3H3
InChIKeyQGTKCVPLSYANTA-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
(1R)-N'-[(2-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 30956200
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584591
2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
CID 3160564
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine
CID 64867903
3-[(2-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 43215614
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
(2R)-1-[(2-propan-2-yloxynaphthalen-1-yl)methylamino]propan-2-ol
CID 51996892
N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60733120
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine (CID 62693267) is N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine is CCC(C)CNCc1c(OC)ccc2ccccc12.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine?
The InChIKey is QGTKCVPLSYANTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-13(2)11-18-12-16-15-8-6-5-7-14(15)9-10-17(16)19-3/h5-10,13,18H,4,11-12H2,1-3H3.
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine?
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 62693267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).