(4R)-2,2-dimethyl-4-phenyloxan-4-amine

C13H19NO — CID 129406245

IUPAC(4R)-2,2-dimethyl-4-phenyloxan-4-amine
SMILESCC1(C)C[C@@](N)(c2ccccc2)CCO1
InChIInChI=1S/C13H19NO/c1-12(2)10-13(14,8-9-15-12)11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3/t13-/m1/s1
InChIKeyNRDJCWQGQIQAEE-CYBMUJFWSA-N
MW205.30 g/mol
LogP2.43
Rot. Bonds1

About (4R)-2,2-dimethyl-4-phenyloxan-4-amine

(4R)-2,2-dimethyl-4-phenyloxan-4-amine (PubChem CID 129406245) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-phenyloxan-4-amine.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-phenyloxan-4-amine
PubChem CID129406245
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(4R)-2,2-dimethyl-4-phenyloxan-4-amine
SMILESCC1(C)C[C@@](N)(c2ccccc2)CCO1
InChIInChI=1S/C13H19NO/c1-12(2)10-13(14,8-9-15-12)11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3/t13-/m1/s1
InChIKeyNRDJCWQGQIQAEE-CYBMUJFWSA-N
XLogP2.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-5,8-dioxaspiro[3.4]octan-2-amine
CID 126480378
1-amino-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]cyclopropane-1-carboxamide
CID 56861115
5-phenylspiro[2.3]hexan-5-amine
CID 65008648
3,3-dimethyl-1-(4-phenylphenyl)cyclopentan-1-amine
CID 80692373
4-N-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-2-methylpyrimidine-4,6-diamine
CID 97132520
3-phenyloxetan-3-amine;hydrochloride
CID 53256980
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 91262908
[(2S)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-(furan-2-ylmethyl)azanium
CID 7645497
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]benzenesulfonamide
CID 1076269
8-methoxy-8-phenyl-1,4-dioxaspiro[4.5]decane
CID 22492982
(2S)-2-methyl-2-phenyloxirane
CID 11629614
[(2R)-1-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]propan-2-yl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7643369

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-phenyloxan-4-amine?
The IUPAC name of (4R)-2,2-dimethyl-4-phenyloxan-4-amine (CID 129406245) is (4R)-2,2-dimethyl-4-phenyloxan-4-amine.
What is the SMILES notation for (4R)-2,2-dimethyl-4-phenyloxan-4-amine?
The canonical SMILES for (4R)-2,2-dimethyl-4-phenyloxan-4-amine is CC1(C)C[C@@](N)(c2ccccc2)CCO1.
What is the InChIKey of (4R)-2,2-dimethyl-4-phenyloxan-4-amine?
The InChIKey is NRDJCWQGQIQAEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO/c1-12(2)10-13(14,8-9-15-12)11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-phenyloxan-4-amine?
(4R)-2,2-dimethyl-4-phenyloxan-4-amine has a molecular weight of 205.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-phenyloxan-4-amine is sourced from PubChem (CID 129406245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).