2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine

C13H21NO2 — CID 82287187

IUPAC2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
SMILESCOc1cc(C)c(C)cc1C(C)(CN)OC
InChIInChI=1S/C13H21NO2/c1-9-6-11(13(3,8-14)16-5)12(15-4)7-10(9)2/h6-7H,8,14H2,1-5H3
InChIKeyNBWNZUHAGMHLIU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.13
Rot. Bonds4

About 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine

2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine (PubChem CID 82287187) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
PubChem CID82287187
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
SMILESCOc1cc(C)c(C)cc1C(C)(CN)OC
InChIInChI=1S/C13H21NO2/c1-9-6-11(13(3,8-14)16-5)12(15-4)7-10(9)2/h6-7H,8,14H2,1-5H3
InChIKeyNBWNZUHAGMHLIU-UHFFFAOYSA-N
XLogP2.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-2-methylphenyl)-2-methoxypropan-1-amine
CID 82291390
CID 168930805
CID 168930805
2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
CID 82491313
2-methyl-2-(2,4,5-trimethoxyphenyl)butan-1-amine
CID 112518955
4,4-difluoro-4-(4-methoxy-2,5-dimethylphenyl)-2-methylbutan-2-amine
CID 116839527
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325
2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116962203
4-tert-butyl-5-methoxy-2-methylaniline
CID 59687322
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949042
1-(2-methoxy-4,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933396
4-(4-tert-butyl-5-methoxy-2-methylphenyl)butan-1-amine
CID 117377717
3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134461

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine (CID 82287187) is 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine is COc1cc(C)c(C)cc1C(C)(CN)OC.
What is the InChIKey of 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine?
The InChIKey is NBWNZUHAGMHLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-6-11(13(3,8-14)16-5)12(15-4)7-10(9)2/h6-7H,8,14H2,1-5H3.
What are the key properties of 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine?
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 82287187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).