5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane

C15H27NO — CID 91386742

IUPAC5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane
SMILESCC.CC(Cc1ccc(N)cc1)CC(C)(C)O
InChIInChI=1S/C13H21NO.C2H6/c1-10(9-13(2,3)15)8-11-4-6-12(14)7-5-11;1-2/h4-7,10,15H,8-9,14H2,1-3H3;1-2H3
InChIKeyAWONIRRLYQSFQD-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.63
Rot. Bonds4

About 5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane

5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane (PubChem CID 91386742) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane.

Molecular Properties

Compound Name5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane
PubChem CID91386742
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane
SMILESCC.CC(Cc1ccc(N)cc1)CC(C)(C)O
InChIInChI=1S/C13H21NO.C2H6/c1-10(9-13(2,3)15)8-11-4-6-12(14)7-5-11;1-2/h4-7,10,15H,8-9,14H2,1-3H3;1-2H3
InChIKeyAWONIRRLYQSFQD-UHFFFAOYSA-N
XLogP3.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-Pentylaniline
CID 93162
4-Hexylaniline
CID 36382
4-Octylaniline
CID 85346
4-Aminophenethyl alcohol
CID 66904
2-(4-Aminophenyl)propan-2-ol
CID 9543261
4-Heptylaniline
CID 142169
3-(4-Aminophenyl)adamantan-1-ol
CID 2834348
4-(8-Methylnonyl)aniline
CID 110201
4-(2-Methoxyethyl)aniline
CID 3020135
4-(3-Methylbutyl)aniline
CID 12590943
p-Nonylaniline
CID 142170
1-[1-(4-Aminophenyl)-2-dimethylaminoethyl]cyclohexanol
CID 13520329

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane?
The IUPAC name of 5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane (CID 91386742) is 5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane.
What is the SMILES notation for 5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane?
The canonical SMILES for 5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane is CC.CC(Cc1ccc(N)cc1)CC(C)(C)O.
What is the InChIKey of 5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane?
The InChIKey is AWONIRRLYQSFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-10(9-13(2,3)15)8-11-4-6-12(14)7-5-11;1-2/h4-7,10,15H,8-9,14H2,1-3H3;1-2H3.
What are the key properties of 5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane?
5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane has a molecular weight of 237.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-2,4-dimethylpentan-2-ol;ethane is sourced from PubChem (CID 91386742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).