1-amino-4-(2,5-diethylphenyl)pentan-2-ol

C15H25NO — CID 83921003

IUPAC1-amino-4-(2,5-diethylphenyl)pentan-2-ol
SMILESCCc1ccc(CC)c(C(C)CC(O)CN)c1
InChIInChI=1S/C15H25NO/c1-4-12-6-7-13(5-2)15(9-12)11(3)8-14(17)10-16/h6-7,9,11,14,17H,4-5,8,10,16H2,1-3H3
InChIKeyQTEPWXVDWJVGSF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.62
Rot. Bonds6

About 1-amino-4-(2,5-diethylphenyl)pentan-2-ol

1-amino-4-(2,5-diethylphenyl)pentan-2-ol (PubChem CID 83921003) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-amino-4-(2,5-diethylphenyl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2,5-diethylphenyl)pentan-2-ol
PubChem CID83921003
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-amino-4-(2,5-diethylphenyl)pentan-2-ol
SMILESCCc1ccc(CC)c(C(C)CC(O)CN)c1
InChIInChI=1S/C15H25NO/c1-4-12-6-7-13(5-2)15(9-12)11(3)8-14(17)10-16/h6-7,9,11,14,17H,4-5,8,10,16H2,1-3H3
InChIKeyQTEPWXVDWJVGSF-UHFFFAOYSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-(2,5-diethylphenyl)octan-4-ol
CID 83921005
ethyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117345048
methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117318188
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
2-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277659
2-amino-1-(2,5-diethylphenyl)-4-(dimethylamino)butan-1-ol
CID 83920924
2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine
CID 83927537
1-amino-4-(2,5-difluorophenyl)pentan-2-ol
CID 83936130
(2,5-diethylphenyl)-(5-iodothiophen-3-yl)methanol
CID 79684303
1-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 83933928
1-(2,5-diethylphenyl)decan-1-amine
CID 65448585
1-amino-4-(3,4-diethoxyphenyl)pentan-2-ol
CID 83923626

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2,5-diethylphenyl)pentan-2-ol?
The IUPAC name of 1-amino-4-(2,5-diethylphenyl)pentan-2-ol (CID 83921003) is 1-amino-4-(2,5-diethylphenyl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(2,5-diethylphenyl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(2,5-diethylphenyl)pentan-2-ol is CCc1ccc(CC)c(C(C)CC(O)CN)c1.
What is the InChIKey of 1-amino-4-(2,5-diethylphenyl)pentan-2-ol?
The InChIKey is QTEPWXVDWJVGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-12-6-7-13(5-2)15(9-12)11(3)8-14(17)10-16/h6-7,9,11,14,17H,4-5,8,10,16H2,1-3H3.
What are the key properties of 1-amino-4-(2,5-diethylphenyl)pentan-2-ol?
1-amino-4-(2,5-diethylphenyl)pentan-2-ol has a molecular weight of 235.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2,5-diethylphenyl)pentan-2-ol is sourced from PubChem (CID 83921003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).