1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine

C14H23NO — CID 79616948

IUPAC1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine
SMILESCCNC(c1cccc(C)c1C)C(C)OC
InChIInChI=1S/C14H23NO/c1-6-15-14(12(4)16-5)13-9-7-8-10(2)11(13)3/h7-9,12,14-15H,6H2,1-5H3
InChIKeyMUWKDMFOYDHSMW-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine

1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine (PubChem CID 79616948) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine
PubChem CID79616948
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine
SMILESCCNC(c1cccc(C)c1C)C(C)OC
InChIInChI=1S/C14H23NO/c1-6-15-14(12(4)16-5)13-9-7-8-10(2)11(13)3/h7-9,12,14-15H,6H2,1-5H3
InChIKeyMUWKDMFOYDHSMW-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616818
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116716830
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717972
1-(2,3-dimethylphenyl)-2-methoxypropan-1-ol
CID 79616060
1-(2-bromo-3-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 107984697
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616949
N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489235
1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028600
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
1-(2,3-dimethylphenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092443
1-(1-ethoxyethyl)-2,3-dimethylbenzene
CID 19386638

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine (CID 79616948) is 1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine is CCNC(c1cccc(C)c1C)C(C)OC.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine?
The InChIKey is MUWKDMFOYDHSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-6-15-14(12(4)16-5)13-9-7-8-10(2)11(13)3/h7-9,12,14-15H,6H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine?
1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-ethyl-2-methoxypropan-1-amine is sourced from PubChem (CID 79616948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).