4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine

C16H27NO2 — CID 81396657

IUPAC4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
SMILESCOc1ccccc1[C@@H](C)NC(C)CC(C)(C)OC
InChIInChI=1S/C16H27NO2/c1-12(11-16(3,4)19-6)17-13(2)14-9-7-8-10-15(14)18-5/h7-10,12-13,17H,11H2,1-6H3/t12?,13-/m1/s1
InChIKeyRFJUMRPMDRVWTD-ZGTCLIOFSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds7

About 4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine

4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine (PubChem CID 81396657) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
PubChem CID81396657
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
SMILESCOc1ccccc1[C@@H](C)NC(C)CC(C)(C)OC
InChIInChI=1S/C16H27NO2/c1-12(11-16(3,4)19-6)17-13(2)14-9-7-8-10-15(14)18-5/h7-10,12-13,17H,11H2,1-6H3/t12?,13-/m1/s1
InChIKeyRFJUMRPMDRVWTD-ZGTCLIOFSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
4-methoxy-4-methyl-N-[(1S)-1-phenylethyl]pentan-2-amine
CID 81351575
N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81396911
1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine
CID 113493164
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81397361
N-[1-(2-methoxyphenyl)ethyl]octan-2-amine
CID 43129932
4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81399712
4-methoxy-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pentan-2-amine
CID 43712720
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine?
The IUPAC name of 4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine (CID 81396657) is 4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine.
What is the SMILES notation for 4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine?
The canonical SMILES for 4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine is COc1ccccc1[C@@H](C)NC(C)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine?
The InChIKey is RFJUMRPMDRVWTD-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(11-16(3,4)19-6)17-13(2)14-9-7-8-10-15(14)18-5/h7-10,12-13,17H,11H2,1-6H3/t12?,13-/m1/s1.
What are the key properties of 4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine?
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine is sourced from PubChem (CID 81396657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).