N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine

C18H25NO2 — CID 115584591

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCOc1ccc2ccccc2c1CNCCOCC(C)C
InChIInChI=1S/C18H25NO2/c1-14(2)13-21-11-10-19-12-17-16-7-5-4-6-15(16)8-9-18(17)20-3/h4-9,14,19H,10-13H2,1-3H3
InChIKeyCQENSGDIUOGFBR-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.61
Rot. Bonds8

About N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine

N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine (PubChem CID 115584591) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
PubChem CID115584591
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCOc1ccc2ccccc2c1CNCCOCC(C)C
InChIInChI=1S/C18H25NO2/c1-14(2)13-21-11-10-19-12-17-16-7-5-4-6-15(16)8-9-18(17)20-3/h4-9,14,19H,10-13H2,1-3H3
InChIKeyCQENSGDIUOGFBR-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54849354
1-[2-[(2-methoxynaphthalen-1-yl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17295794
N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531940
3-[(2-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 43215614
3,3,3-trifluoro-N-[(2-methoxynaphthalen-1-yl)methyl]propan-1-amine
CID 63226555
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584563
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-methylpropan-1-amine
CID 64867903
2-(3,4-dimethoxyphenyl)-N-[(2-methoxynaphthalen-1-yl)methyl]ethanamine
CID 5158918
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
CID 54807559
(1R)-N'-[(2-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 30956200
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584619

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine (CID 115584591) is N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine is COc1ccc2ccccc2c1CNCCOCC(C)C.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine?
The InChIKey is CQENSGDIUOGFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(2)13-21-11-10-19-12-17-16-7-5-4-6-15(16)8-9-18(17)20-3/h4-9,14,19H,10-13H2,1-3H3.
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine?
N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine has a molecular weight of 287.40 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 115584591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).