2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine

C18H28N2O — CID 115532154

IUPAC2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
SMILESCN1CCOC(CNC2c3ccccc3CCC2(C)C)C1
InChIInChI=1S/C18H28N2O/c1-18(2)9-8-14-6-4-5-7-16(14)17(18)19-12-15-13-20(3)10-11-21-15/h4-7,15,17,19H,8-13H2,1-3H3
InChIKeyLYVIXNTWDAWRDF-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.62
Rot. Bonds3

About 2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine

2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115532154) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115532154
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
SMILESCN1CCOC(CNC2c3ccccc3CCC2(C)C)C1
InChIInChI=1S/C18H28N2O/c1-18(2)9-8-14-6-4-5-7-16(14)17(18)19-12-15-13-20(3)10-11-21-15/h4-7,15,17,19H,8-13H2,1-3H3
InChIKeyLYVIXNTWDAWRDF-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine (CID 115532154) is 2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine is CN1CCOC(CNC2c3ccccc3CCC2(C)C)C1.
What is the InChIKey of 2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is LYVIXNTWDAWRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2)9-8-14-6-4-5-7-16(14)17(18)19-12-15-13-20(3)10-11-21-15/h4-7,15,17,19H,8-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine?
2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 288.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115532154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).