1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine

C17H23NO — CID 65047641

IUPAC1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
SMILESCOCC(NCc1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H23NO/c1-13(2)17(12-19-3)18-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,13,17-18H,11-12H2,1-3H3
InChIKeyTUPPIZYZZGLDFP-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.60
Rot. Bonds6

About 1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine

1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine (PubChem CID 65047641) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
PubChem CID65047641
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
SMILESCOCC(NCc1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H23NO/c1-13(2)17(12-19-3)18-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,13,17-18H,11-12H2,1-3H3
InChIKeyTUPPIZYZZGLDFP-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 43085087
N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65050293
3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine
CID 61468865
1-methylsulfanyl-N-(naphthalen-2-ylmethyl)propan-2-amine
CID 113239115
3-ethyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 63843096
methyl (2R,3S)-3-hydroxy-2-(naphthalen-2-ylmethylamino)butanoate
CID 129401896
N-(naphthalen-2-ylmethyl)hexan-3-amine
CID 63477604
3-(naphthalen-2-ylmethylamino)pentanenitrile
CID 55101550
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115
1-methoxy-3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 65047506

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine (CID 65047641) is 1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine is COCC(NCc1ccc2ccccc2c1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine?
The InChIKey is TUPPIZYZZGLDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(2)17(12-19-3)18-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,13,17-18H,11-12H2,1-3H3.
What are the key properties of 1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine?
1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 65047641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).