2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine

C16H25NO — CID 81373174

IUPAC2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
SMILESCc1ccccc1[C@@H](C)NC1CCOC(C)(C)C1
InChIInChI=1S/C16H25NO/c1-12-7-5-6-8-15(12)13(2)17-14-9-10-18-16(3,4)11-14/h5-8,13-14,17H,9-11H2,1-4H3/t13-,14?/m1/s1
InChIKeyQHRMZRUYRXYJBB-KWCCSABGSA-N
MW247.38 g/mol
LogP3.60
Rot. Bonds3

About 2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine

2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine (PubChem CID 81373174) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
PubChem CID81373174
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
SMILESCc1ccccc1[C@@H](C)NC1CCOC(C)(C)C1
InChIInChI=1S/C16H25NO/c1-12-7-5-6-8-15(12)13(2)17-14-9-10-18-16(3,4)11-14/h5-8,13-14,17H,9-11H2,1-4H3/t13-,14?/m1/s1
InChIKeyQHRMZRUYRXYJBB-KWCCSABGSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 81380158
(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine
CID 83033464
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520
(4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine
CID 99701622
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032780
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882
N-[(1S)-1-(2-methylphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 81374208
N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033874

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine (CID 81373174) is 2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine is Cc1ccccc1[C@@H](C)NC1CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine?
The InChIKey is QHRMZRUYRXYJBB-KWCCSABGSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-7-5-6-8-15(12)13(2)17-14-9-10-18-16(3,4)11-14/h5-8,13-14,17H,9-11H2,1-4H3/t13-,14?/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine?
2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine has a molecular weight of 247.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine is sourced from PubChem (CID 81373174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).