2-(3,5-dimethyl-2-propoxyphenyl)ethanamine

C13H21NO — CID 82053274

IUPAC2-(3,5-dimethyl-2-propoxyphenyl)ethanamine
SMILESCCCOc1c(C)cc(C)cc1CCN
InChIInChI=1S/C13H21NO/c1-4-7-15-13-11(3)8-10(2)9-12(13)5-6-14/h8-9H,4-7,14H2,1-3H3
InChIKeyQQXQULUJOMKMHV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.59
Rot. Bonds5

About 2-(3,5-dimethyl-2-propoxyphenyl)ethanamine

2-(3,5-dimethyl-2-propoxyphenyl)ethanamine (PubChem CID 82053274) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-propoxyphenyl)ethanamine
PubChem CID82053274
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(3,5-dimethyl-2-propoxyphenyl)ethanamine
SMILESCCCOc1c(C)cc(C)cc1CCN
InChIInChI=1S/C13H21NO/c1-4-7-15-13-11(3)8-10(2)9-12(13)5-6-14/h8-9H,4-7,14H2,1-3H3
InChIKeyQQXQULUJOMKMHV-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid
CID 82053234
2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane
CID 83942245
5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one
CID 83942149
1-(3,5-dimethyl-2-propoxyphenyl)hexane-3,4-diol
CID 83942267
2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
CID 112621515
2-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]ethanamine
CID 112621647
methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83942262
5-(3,5-dimethyl-2-propoxyphenyl)-4-methylpentan-2-one
CID 83942194
2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112621624
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
1-(3-bromopropyl)-2-ethoxy-3,5-dimethylbenzene
CID 83942023
2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959162

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-propoxyphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethyl-2-propoxyphenyl)ethanamine (CID 82053274) is 2-(3,5-dimethyl-2-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethyl-2-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethyl-2-propoxyphenyl)ethanamine is CCCOc1c(C)cc(C)cc1CCN.
What is the InChIKey of 2-(3,5-dimethyl-2-propoxyphenyl)ethanamine?
The InChIKey is QQXQULUJOMKMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-7-15-13-11(3)8-10(2)9-12(13)5-6-14/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-2-propoxyphenyl)ethanamine?
2-(3,5-dimethyl-2-propoxyphenyl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-propoxyphenyl)ethanamine is sourced from PubChem (CID 82053274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).