2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine

C16H20N2O — CID 115532188

IUPAC2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCc2ccccc2C1NCc1ccon1
InChIInChI=1S/C16H20N2O/c1-16(2)9-7-12-5-3-4-6-14(12)15(16)17-11-13-8-10-19-18-13/h3-6,8,10,15,17H,7,9,11H2,1-2H3
InChIKeyANQNJRQDFMNFPH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.48
Rot. Bonds3

About 2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine

2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115532188) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115532188
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine
SMILESCC1(C)CCc2ccccc2C1NCc1ccon1
InChIInChI=1S/C16H20N2O/c1-16(2)9-7-12-5-3-4-6-14(12)15(16)17-11-13-8-10-19-18-13/h3-6,8,10,15,17H,7,9,11H2,1-2H3
InChIKeyANQNJRQDFMNFPH-UHFFFAOYSA-N
XLogP3.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115491538
2,2-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115532070
2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-1-amine
CID 115532049
N-(1,2-oxazol-3-ylmethyl)-9,10-dihydroanthracen-9-amine
CID 81176893
2,2-dimethyl-N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532038
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
4-methyl-N-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81343852
2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-dihydroinden-1-amine
CID 82821354
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine (CID 115532188) is 2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine is CC1(C)CCc2ccccc2C1NCc1ccon1.
What is the InChIKey of 2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is ANQNJRQDFMNFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2)9-7-12-5-3-4-6-14(12)15(16)17-11-13-8-10-19-18-13/h3-6,8,10,15,17H,7,9,11H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine?
2,2-dimethyl-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.48, 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-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115532188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).