4-(2-aminopropyl)-3-ethylphenol

C11H17NO — CID 130001636

IUPAC4-(2-aminopropyl)-3-ethylphenol
SMILESCCc1cc(O)ccc1CC(C)N
InChIInChI=1S/C11H17NO/c1-3-9-7-11(13)5-4-10(9)6-8(2)12/h4-5,7-8,13H,3,6,12H2,1-2H3
InChIKeyVRNPHGXRFDZVBK-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.84
Rot. Bonds3

About 4-(2-aminopropyl)-3-ethylphenol

4-(2-aminopropyl)-3-ethylphenol (PubChem CID 130001636) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(2-aminopropyl)-3-ethylphenol.

Molecular Properties

Compound Name4-(2-aminopropyl)-3-ethylphenol
PubChem CID130001636
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(2-aminopropyl)-3-ethylphenol
SMILESCCc1cc(O)ccc1CC(C)N
InChIInChI=1S/C11H17NO/c1-3-9-7-11(13)5-4-10(9)6-8(2)12/h4-5,7-8,13H,3,6,12H2,1-2H3
InChIKeyVRNPHGXRFDZVBK-UHFFFAOYSA-N
XLogP1.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-3-(2-ethyl-4-hydroxyphenyl)-2-methylpropanoate
CID 134580652
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
2-(2-aminopropyl)-6-ethylphenol
CID 83875214
3-[(1S)-1-amino-2-hydroxypropyl]-4-ethylphenol
CID 131128646
3-(1-amino-3-hydroxypropyl)-4-ethylphenol
CID 55269624
3-amino-4-ethylphenol;hydrochloride
CID 178200309
4-ethylbenzene-1,3-diol
CID 17927
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
3-(1-aminoprop-2-enyl)-4-ethylphenol
CID 55282730
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
4-(2-aminobutyl)benzene-1,3-diol
CID 43565996
4-[(2R)-2-aminopropyl]-3-iodobenzoic acid
CID 130607749

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-3-ethylphenol?
The IUPAC name of 4-(2-aminopropyl)-3-ethylphenol (CID 130001636) is 4-(2-aminopropyl)-3-ethylphenol.
What is the SMILES notation for 4-(2-aminopropyl)-3-ethylphenol?
The canonical SMILES for 4-(2-aminopropyl)-3-ethylphenol is CCc1cc(O)ccc1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-3-ethylphenol?
The InChIKey is VRNPHGXRFDZVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9-7-11(13)5-4-10(9)6-8(2)12/h4-5,7-8,13H,3,6,12H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-3-ethylphenol?
4-(2-aminopropyl)-3-ethylphenol has a molecular weight of 179.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-3-ethylphenol is sourced from PubChem (CID 130001636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).