2-[amino(hexyl)amino]phenol

C12H20N2O — CID 175507997

IUPAC2-[amino(hexyl)amino]phenol
SMILESCCCCCCN(N)c1ccccc1O
InChIInChI=1S/C12H20N2O/c1-2-3-4-7-10-14(13)11-8-5-6-9-12(11)15/h5-6,8-9,15H,2-4,7,10,13H2,1H3
InChIKeyUWURZHXYRSLDCH-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.65
Rot. Bonds6

About 2-[amino(hexyl)amino]phenol

2-[amino(hexyl)amino]phenol (PubChem CID 175507997) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[amino(hexyl)amino]phenol.

Molecular Properties

Compound Name2-[amino(hexyl)amino]phenol
PubChem CID175507997
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[amino(hexyl)amino]phenol
SMILESCCCCCCN(N)c1ccccc1O
InChIInChI=1S/C12H20N2O/c1-2-3-4-7-10-14(13)11-8-5-6-9-12(11)15/h5-6,8-9,15H,2-4,7,10,13H2,1H3
InChIKeyUWURZHXYRSLDCH-UHFFFAOYSA-N
XLogP2.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[amino(hexyl)amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dioctadecylamino)phenol
CID 67178725
2-[amino(butyl)amino]aniline;ethane
CID 143625379
2-[amino-[[(N,2-diaminoanilino)methyl-octadecylamino]methyl]amino]aniline
CID 167065860
2,3-bis(dipentylamino)phenol
CID 67225665
2-[10-(didecylamino)decyl]phenol
CID 151886880
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
2-[amino(benzyl)amino]phenol
CID 151067188
2-[hexan-2-yl(propyl)amino]phenol
CID 54465777
2-hydroxy-N,N-dioctadecylbenzamide
CID 58731350
2-chloro-N,N-dihexylaniline
CID 139723528
dodecane;phenol
CID 157210063
2-(1-hydrazinylheptyl)phenol
CID 155127911

Frequently Asked Questions

What is the IUPAC name of 2-[amino(hexyl)amino]phenol?
The IUPAC name of 2-[amino(hexyl)amino]phenol (CID 175507997) is 2-[amino(hexyl)amino]phenol.
What is the SMILES notation for 2-[amino(hexyl)amino]phenol?
The canonical SMILES for 2-[amino(hexyl)amino]phenol is CCCCCCN(N)c1ccccc1O.
What is the InChIKey of 2-[amino(hexyl)amino]phenol?
The InChIKey is UWURZHXYRSLDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-7-10-14(13)11-8-5-6-9-12(11)15/h5-6,8-9,15H,2-4,7,10,13H2,1H3.
What are the key properties of 2-[amino(hexyl)amino]phenol?
2-[amino(hexyl)amino]phenol has a molecular weight of 208.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(hexyl)amino]phenol is sourced from PubChem (CID 175507997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).