1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine

C13H21NO — CID 82267415

IUPAC1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
SMILESCCc1cc(OC(C)C)ccc1C(C)N
InChIInChI=1S/C13H21NO/c1-5-11-8-12(15-9(2)3)6-7-13(11)10(4)14/h6-10H,5,14H2,1-4H3
InChIKeyKUFQZBXBASJDHN-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.06
Rot. Bonds4

About 1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine

1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine (PubChem CID 82267415) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
PubChem CID82267415
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
SMILESCCc1cc(OC(C)C)ccc1C(C)N
InChIInChI=1S/C13H21NO/c1-5-11-8-12(15-9(2)3)6-7-13(11)10(4)14/h6-10H,5,14H2,1-4H3
InChIKeyKUFQZBXBASJDHN-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine
CID 130673474
propan-2-yl 2-ethyl-4-propan-2-yloxybenzoate
CID 82552007
methyl 2-(2-ethyl-4-propan-2-yloxyphenyl)acetate
CID 82552006
[2-(1-aminoethyl)-5-methoxyphenyl]methanol
CID 130042307
ethyl 2-(2-hydroxy-5-propan-2-yloxyphenyl)acetate
CID 82553048
1-(2-methyl-4-propan-2-yloxyphenyl)butan-1-amine
CID 82553641
4-(2-ethyl-4-propan-2-yloxyphenyl)-4-oxobutanoic acid
CID 82267401
ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate
CID 5125045
3-amino-3-(4-ethoxy-2-ethylphenyl)propanoic acid
CID 3563423
2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene
CID 130848311
1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82551989
5-(2-ethyl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82267403

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine (CID 82267415) is 1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine is CCc1cc(OC(C)C)ccc1C(C)N.
What is the InChIKey of 1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is KUFQZBXBASJDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-11-8-12(15-9(2)3)6-7-13(11)10(4)14/h6-10H,5,14H2,1-4H3.
What are the key properties of 1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine?
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 82267415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).