2-(3-ethyl-2-methoxyphenyl)propan-2-amine

C12H19NO — CID 117284071

IUPAC2-(3-ethyl-2-methoxyphenyl)propan-2-amine
SMILESCCc1cccc(C(C)(C)N)c1OC
InChIInChI=1S/C12H19NO/c1-5-9-7-6-8-10(11(9)14-4)12(2,3)13/h6-8H,5,13H2,1-4H3
InChIKeyFCKKOQZZKTZIMV-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.45
Rot. Bonds3

About 2-(3-ethyl-2-methoxyphenyl)propan-2-amine

2-(3-ethyl-2-methoxyphenyl)propan-2-amine (PubChem CID 117284071) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(3-ethyl-2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-ethyl-2-methoxyphenyl)propan-2-amine
PubChem CID117284071
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(3-ethyl-2-methoxyphenyl)propan-2-amine
SMILESCCc1cccc(C(C)(C)N)c1OC
InChIInChI=1S/C12H19NO/c1-5-9-7-6-8-10(11(9)14-4)12(2,3)13/h6-8H,5,13H2,1-4H3
InChIKeyFCKKOQZZKTZIMV-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxynaphthalen-1-yl)propan-2-amine
CID 105468872
2-(3-tert-butyl-2-methoxyphenyl)acetic acid
CID 21199434
1-(bromomethyl)-3-ethyl-2-methoxybenzene
CID 126971204
2-ethoxy-1-[2-(2-ethoxy-3-ethylphenyl)propan-2-yl]-3-ethylbenzene
CID 150428684
[3-(1,1-difluoroethyl)-2-methoxyphenyl]methanesulfonyl chloride
CID 117458195
3-(3-ethyl-2-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117345111
1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine
CID 57135698
2-(3-chloro-5-ethyl-2-methoxyphenyl)propan-2-amine
CID 117327991
2-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-amine
CID 117398199
(Z)-2-amino-6-(3-ethyl-2-methoxyphenyl)-6-methyl-1-phenyl-4-(trifluoromethyl)hept-1-en-4-ol
CID 142814273
4-ethyl-3-methoxy-1-benzothiophene-2-thiol
CID 131124437
2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117327201

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methoxyphenyl)propan-2-amine?
The IUPAC name of 2-(3-ethyl-2-methoxyphenyl)propan-2-amine (CID 117284071) is 2-(3-ethyl-2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-ethyl-2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(3-ethyl-2-methoxyphenyl)propan-2-amine is CCc1cccc(C(C)(C)N)c1OC.
What is the InChIKey of 2-(3-ethyl-2-methoxyphenyl)propan-2-amine?
The InChIKey is FCKKOQZZKTZIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-9-7-6-8-10(11(9)14-4)12(2,3)13/h6-8H,5,13H2,1-4H3.
What are the key properties of 2-(3-ethyl-2-methoxyphenyl)propan-2-amine?
2-(3-ethyl-2-methoxyphenyl)propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 117284071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).