(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine

C13H21NO2 — CID 172635703

IUPAC(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
SMILESCOc1ccc([C@H](OC)[C@@H](C)N(C)C)cc1
InChIInChI=1S/C13H21NO2/c1-10(14(2)3)13(16-5)11-6-8-12(15-4)9-7-11/h6-10,13H,1-5H3/t10-,13-/m1/s1
InChIKeyXIISEQOOQZDOIW-ZWNOBZJWSA-N
MW223.32 g/mol
LogP2.33
Rot. Bonds5

About (1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine

(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine (PubChem CID 172635703) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
PubChem CID172635703
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
SMILESCOc1ccc([C@H](OC)[C@@H](C)N(C)C)cc1
InChIInChI=1S/C13H21NO2/c1-10(14(2)3)13(16-5)11-6-8-12(15-4)9-7-11/h6-10,13H,1-5H3/t10-,13-/m1/s1
InChIKeyXIISEQOOQZDOIW-ZWNOBZJWSA-N
XLogP2.33
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 16781513
1-methoxy-1-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 91693922
1-[chloro(methoxy)methyl]-4-methoxybenzene
CID 15657443
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde
CID 165107258
1-(1-chloro-2-methylpropyl)-4-methoxybenzene
CID 61081165
1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909199
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
1-(4-methoxyphenyl)-N-methyl-N-(trimethylsilylmethyl)ethanamine
CID 15113037
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
methyl 3-methoxy-3-(4-methoxyphenyl)-2-phenylpropanoate
CID 134922175
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 75493520

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine?
The IUPAC name of (1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine (CID 172635703) is (1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for (1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for (1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine is COc1ccc([C@H](OC)[C@@H](C)N(C)C)cc1.
What is the InChIKey of (1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine?
The InChIKey is XIISEQOOQZDOIW-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(14(2)3)13(16-5)11-6-8-12(15-4)9-7-11/h6-10,13H,1-5H3/t10-,13-/m1/s1.
What are the key properties of (1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine?
(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 172635703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).