1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol

C15H25NO — CID 65187944

IUPAC1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol
SMILESCCC(CC)C(O)C(CN)c1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-4-12(5-2)15(17)14(10-16)13-8-6-11(3)7-9-13/h6-9,12,14-15,17H,4-5,10,16H2,1-3H3
InChIKeyVGHHRSNKWNJYGE-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.83
Rot. Bonds6

About 1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol

1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol (PubChem CID 65187944) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol.

Molecular Properties

Compound Name1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol
PubChem CID65187944
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol
SMILESCCC(CC)C(O)C(CN)c1ccc(C)cc1
InChIInChI=1S/C15H25NO/c1-4-12(5-2)15(17)14(10-16)13-8-6-11(3)7-9-13/h6-9,12,14-15,17H,4-5,10,16H2,1-3H3
InChIKeyVGHHRSNKWNJYGE-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-ethyl-2-phenylhexan-3-ol
CID 65186056
1-amino-2-(4-bromophenyl)-4-ethylhexan-3-ol
CID 65186016
1-amino-2-(4-methylphenyl)pentan-3-ol
CID 65187998
1-amino-4-methyl-2-(4-methylphenyl)pentan-3-ol
CID 65187887
1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
CID 65185548
1-amino-2-(3,4-dimethylphenyl)-4-ethylhexan-3-ol
CID 65188522
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
1-(1-bromo-2-ethylbutyl)-4-methylbenzene
CID 63437265
3-amino-1-cyclooctyl-2-(4-methylphenyl)propan-1-ol
CID 65187996
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
3-amino-2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65187789

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol?
The IUPAC name of 1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol (CID 65187944) is 1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol.
What is the SMILES notation for 1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol?
The canonical SMILES for 1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol is CCC(CC)C(O)C(CN)c1ccc(C)cc1.
What is the InChIKey of 1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol?
The InChIKey is VGHHRSNKWNJYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-12(5-2)15(17)14(10-16)13-8-6-11(3)7-9-13/h6-9,12,14-15,17H,4-5,10,16H2,1-3H3.
What are the key properties of 1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol?
1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol has a molecular weight of 235.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-ethyl-2-(4-methylphenyl)hexan-3-ol is sourced from PubChem (CID 65187944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).