2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol

C14H23NO — CID 117316995

IUPAC2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol
SMILESCCc1ccc(C(C)C)c(CCCN)c1O
InChIInChI=1S/C14H23NO/c1-4-11-7-8-12(10(2)3)13(14(11)16)6-5-9-15/h7-8,10,16H,4-6,9,15H2,1-3H3
InChIKeyAWKUZAYLJQUIFM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds5

About 2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol

2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol (PubChem CID 117316995) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol
PubChem CID117316995
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol
SMILESCCc1ccc(C(C)C)c(CCCN)c1O
InChIInChI=1S/C14H23NO/c1-4-11-7-8-12(10(2)3)13(14(11)16)6-5-9-15/h7-8,10,16H,4-6,9,15H2,1-3H3
InChIKeyAWKUZAYLJQUIFM-UHFFFAOYSA-N
XLogP2.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol
CID 117343674
2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol
CID 117343732
2-(4-aminobutyl)-3-methyl-6-propan-2-ylphenol
CID 117317044
3-dodecyl-2-hydroxy-4-propan-2-ylbenzenesulfonic acid
CID 20518048
2-(2-hydroxyethyl)-3,6-di(propan-2-yl)phenol
CID 117318714
2,6-dibutyl-3-[1-(2,4-dibutyl-3-hydroxyphenyl)propyl]phenol
CID 151086518
2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid
CID 117345076
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
2-[1-(aminomethyl)cyclohexyl]-6-ethyl-3-propan-2-ylphenol
CID 117441154
2-ethyl-3-methyl-6-propan-2-ylphenol
CID 141031385
6-ethyl-3-methyl-2-propan-2-ylphenol
CID 89393245
3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol?
The IUPAC name of 2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol (CID 117316995) is 2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol.
What is the SMILES notation for 2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol?
The canonical SMILES for 2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol is CCc1ccc(C(C)C)c(CCCN)c1O.
What is the InChIKey of 2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol?
The InChIKey is AWKUZAYLJQUIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-11-7-8-12(10(2)3)13(14(11)16)6-5-9-15/h7-8,10,16H,4-6,9,15H2,1-3H3.
What are the key properties of 2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol?
2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol has a molecular weight of 221.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol is sourced from PubChem (CID 117316995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).