N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine

C18H29NO2 — CID 125438960

IUPACN-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
SMILESCC[C@](C)(CCNC1CCOCC1)c1ccccc1OC
InChIInChI=1S/C18H29NO2/c1-4-18(2,16-7-5-6-8-17(16)20-3)11-12-19-15-9-13-21-14-10-15/h5-8,15,19H,4,9-14H2,1-3H3/t18-/m1/s1
InChIKeyGVGRGPQYTBDCDU-GOSISDBHSA-N
MW291.43 g/mol
LogP3.52
Rot. Bonds7

About N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine

N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine (PubChem CID 125438960) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
PubChem CID125438960
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine
SMILESCC[C@](C)(CCNC1CCOCC1)c1ccccc1OC
InChIInChI=1S/C18H29NO2/c1-4-18(2,16-7-5-6-8-17(16)20-3)11-12-19-15-9-13-21-14-10-15/h5-8,15,19H,4,9-14H2,1-3H3/t18-/m1/s1
InChIKeyGVGRGPQYTBDCDU-GOSISDBHSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine?
The IUPAC name of N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine (CID 125438960) is N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine.
What is the SMILES notation for N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine?
The canonical SMILES for N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine is CC[C@](C)(CCNC1CCOCC1)c1ccccc1OC.
What is the InChIKey of N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine?
The InChIKey is GVGRGPQYTBDCDU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-18(2,16-7-5-6-8-17(16)20-3)11-12-19-15-9-13-21-14-10-15/h5-8,15,19H,4,9-14H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine?
N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine has a molecular weight of 291.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(2-methoxyphenyl)-3-methylpentyl]oxan-4-amine is sourced from PubChem (CID 125438960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).