1-(4-aminophenyl)-5-methylhexan-1-ol

C13H21NO — CID 106695506

IUPAC1-(4-aminophenyl)-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1ccc(N)cc1
InChIInChI=1S/C13H21NO/c1-10(2)4-3-5-13(15)11-6-8-12(14)9-7-11/h6-10,13,15H,3-5,14H2,1-2H3
InChIKeyALHSDJRRTXDVLY-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.13
Rot. Bonds5

About 1-(4-aminophenyl)-5-methylhexan-1-ol

1-(4-aminophenyl)-5-methylhexan-1-ol (PubChem CID 106695506) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)-5-methylhexan-1-ol
PubChem CID106695506
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-aminophenyl)-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1ccc(N)cc1
InChIInChI=1S/C13H21NO/c1-10(2)4-3-5-13(15)11-6-8-12(14)9-7-11/h6-10,13,15H,3-5,14H2,1-2H3
InChIKeyALHSDJRRTXDVLY-UHFFFAOYSA-N
XLogP3.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
5-methyl-1-phenylhexan-1-ol
CID 10997859
1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol
CID 62264389
1-[4-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158840
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
1-(4-aminophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 55055823
4-N-(6-methylheptan-2-yl)benzene-1,4-diamine
CID 61469616
(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 124567296
1-(4-aminophenyl)-3-cyclopropylpropan-1-ol
CID 106695552
5-methyl-1-thiophen-3-ylhexan-1-ol
CID 83158063
1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
CID 62266967
4-methylsulfonyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 55160995

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-5-methylhexan-1-ol?
The IUPAC name of 1-(4-aminophenyl)-5-methylhexan-1-ol (CID 106695506) is 1-(4-aminophenyl)-5-methylhexan-1-ol.
What is the SMILES notation for 1-(4-aminophenyl)-5-methylhexan-1-ol?
The canonical SMILES for 1-(4-aminophenyl)-5-methylhexan-1-ol is CC(C)CCCC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-5-methylhexan-1-ol?
The InChIKey is ALHSDJRRTXDVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)4-3-5-13(15)11-6-8-12(14)9-7-11/h6-10,13,15H,3-5,14H2,1-2H3.
What are the key properties of 1-(4-aminophenyl)-5-methylhexan-1-ol?
1-(4-aminophenyl)-5-methylhexan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-5-methylhexan-1-ol is sourced from PubChem (CID 106695506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).