(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine

C15H23NO — CID 756075

IUPAC(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
SMILESC[C@H](N[C@H]1CCOC(C)(C)C1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-12(13-7-5-4-6-8-13)16-14-9-10-17-15(2,3)11-14/h4-8,12,14,16H,9-11H2,1-3H3/t12-,14-/m0/s1
InChIKeyPRJFAYDNJPOQFB-JSGCOSHPSA-N
MW233.36 g/mol
LogP3.29
Rot. Bonds3

About (4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine

(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine (PubChem CID 756075) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
PubChem CID756075
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
SMILESC[C@H](N[C@H]1CCOC(C)(C)C1)c1ccccc1
InChIInChI=1S/C15H23NO/c1-12(13-7-5-4-6-8-13)16-14-9-10-17-15(2,3)11-14/h4-8,12,14,16H,9-11H2,1-3H3/t12-,14-/m0/s1
InChIKeyPRJFAYDNJPOQFB-JSGCOSHPSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032780
2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373174
2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
CID 83033555
N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033874
N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033287
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 81380158
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707073
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine
CID 106209442
N-(1-phenylethyl)oxan-4-amine
CID 43608319
3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
CID 81350463
2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine
CID 83033464

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine?
The IUPAC name of (4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine (CID 756075) is (4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine.
What is the SMILES notation for (4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine?
The canonical SMILES for (4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine is C[C@H](N[C@H]1CCOC(C)(C)C1)c1ccccc1.
What is the InChIKey of (4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine?
The InChIKey is PRJFAYDNJPOQFB-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(13-7-5-4-6-8-13)16-14-9-10-17-15(2,3)11-14/h4-8,12,14,16H,9-11H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine?
(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine has a molecular weight of 233.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine is sourced from PubChem (CID 756075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).