2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol

C14H23NO — CID 117316992

IUPAC2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1ccc(O)c(CCCN)c1
InChIInChI=1S/C14H23NO/c1-4-14(2,3)12-7-8-13(16)11(10-12)6-5-9-15/h7-8,10,16H,4-6,9,15H2,1-3H3
InChIKeyZJFWKGSLEHZRDV-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds5

About 2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol

2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol (PubChem CID 117316992) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
PubChem CID117316992
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1ccc(O)c(CCCN)c1
InChIInChI=1S/C14H23NO/c1-4-14(2,3)12-7-8-13(16)11(10-12)6-5-9-15/h7-8,10,16H,4-6,9,15H2,1-3H3
InChIKeyZJFWKGSLEHZRDV-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-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
2-(3-aminopropyl)-4-(trifluoromethyl)phenol
CID 82262792
2-butyl-5-(2-methylbutan-2-yl)phenol
CID 150152087
2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 117343729
2-(2-amino-1-hydroxyethyl)-4-(2-methylbutan-2-yl)phenol
CID 117320731
2-[(methoxyamino)methyl]-4-(2-methylbutan-2-yl)phenol
CID 117320534
4-(2-methylbutan-2-yl)-2-(2-piperazin-1-ylethyl)phenol
CID 117443167
3-amino-2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]propanoic acid
CID 117381731
2-[(2-aminoethylamino)methyl]-4-tert-butylphenol
CID 12761847
2-(1-hydroxypropan-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 117318683
4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol
CID 67779766
4-[4-(4-hydroxy-3-propylphenyl)heptan-4-yl]-2-propylphenol
CID 71712434

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol (CID 117316992) is 2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1ccc(O)c(CCCN)c1.
What is the InChIKey of 2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol?
The InChIKey is ZJFWKGSLEHZRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-14(2,3)12-7-8-13(16)11(10-12)6-5-9-15/h7-8,10,16H,4-6,9,15H2,1-3H3.
What are the key properties of 2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol?
2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol 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)-4-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 117316992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).