(1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine

C13H21NO — CID 23255913

IUPAC(1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine
SMILESCO[C@H](c1ccccc1C)[C@H](C)N(C)C
InChIInChI=1S/C13H21NO/c1-10-8-6-7-9-12(10)13(15-5)11(2)14(3)4/h6-9,11,13H,1-5H3/t11-,13-/m0/s1
InChIKeyQLFBCNPXSKCWSH-AAEUAGOBSA-N
MW207.32 g/mol
LogP2.63
Rot. Bonds4

About (1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine

(1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine (PubChem CID 23255913) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name(1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine
PubChem CID23255913
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine
SMILESCO[C@H](c1ccccc1C)[C@H](C)N(C)C
InChIInChI=1S/C13H21NO/c1-10-8-6-7-9-12(10)13(15-5)11(2)14(3)4/h6-9,11,13H,1-5H3/t11-,13-/m0/s1
InChIKeyQLFBCNPXSKCWSH-AAEUAGOBSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-(2-methyl-1-propan-2-yloxypropyl)benzene
CID 158625827
1-[1-[2,3-dimethyl-1-(2-methylphenyl)butoxy]-2,3-dimethylbutyl]-2-methylbenzene
CID 169096953
[2-methoxy-1-(2-methylphenyl)propyl] carbamate
CID 123675693
(1S,2R)-1-methoxy-1-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
CID 172635703
[2-cyclopropyl-2-methoxy-1-(2-methylphenyl)ethyl]hydrazine
CID 105272618
1-(1-chloro-2-methylpropyl)-2-methylbenzene
CID 67877325
N,N,2-trimethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 116904730
1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
CID 123214058
cyclohexa-1,3-diene;1-methyl-2-propan-2-ylbenzene;ruthenium
CID 172716500
(2S)-2-methoxy-2-(2-methylphenyl)acetonitrile
CID 97030932
1-[bis(2-methylpropoxy)methyl]-2-methylbenzene
CID 22034846

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine?
The IUPAC name of (1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine (CID 23255913) is (1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for (1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine?
The canonical SMILES for (1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine is CO[C@H](c1ccccc1C)[C@H](C)N(C)C.
What is the InChIKey of (1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine?
The InChIKey is QLFBCNPXSKCWSH-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-8-6-7-9-12(10)13(15-5)11(2)14(3)4/h6-9,11,13H,1-5H3/t11-,13-/m0/s1.
What are the key properties of (1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine?
(1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-methoxy-N,N-dimethyl-1-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 23255913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).