(4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine

C18H29NO2 — CID 40917163

IUPAC(4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine
SMILESCOc1ccc([C@H](N[C@@H]2CCOC(C)(C)C2)C(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-13(2)17(14-6-8-16(20-5)9-7-14)19-15-10-11-21-18(3,4)12-15/h6-9,13,15,17,19H,10-12H2,1-5H3/t15-,17-/m1/s1
InChIKeyLLBTWBHSCBMVQB-NVXWUHKLSA-N
MW291.44 g/mol
LogP3.94
Rot. Bonds5

About (4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine

(4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine (PubChem CID 40917163) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound Name(4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine
PubChem CID40917163
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine
SMILESCOc1ccc([C@H](N[C@@H]2CCOC(C)(C)C2)C(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-13(2)17(14-6-8-16(20-5)9-7-14)19-15-10-11-21-18(3,4)12-15/h6-9,13,15,17,19H,10-12H2,1-5H3/t15-,17-/m1/s1
InChIKeyLLBTWBHSCBMVQB-NVXWUHKLSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyloxan-4-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 13438548
N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032780
(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
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-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine
CID 115896330
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
3-(2,2-dimethyloxan-4-yl)-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 52993436
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine
CID 106209442
2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373174
3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine
CID 130574119

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of (4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine (CID 40917163) is (4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for (4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for (4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine is COc1ccc([C@H](N[C@@H]2CCOC(C)(C)C2)C(C)C)cc1.
What is the InChIKey of (4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine?
The InChIKey is LLBTWBHSCBMVQB-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13(2)17(14-6-8-16(20-5)9-7-14)19-15-10-11-21-18(3,4)12-15/h6-9,13,15,17,19H,10-12H2,1-5H3/t15-,17-/m1/s1.
What are the key properties of (4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine?
(4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 40917163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).