4-[(4-aminocyclohexyl)amino]phenol

C12H18N2O — CID 79730932

IUPAC4-[(4-aminocyclohexyl)amino]phenol
SMILESNC1CCC(Nc2ccc(O)cc2)CC1
InChIInChI=1S/C12H18N2O/c13-9-1-3-10(4-2-9)14-11-5-7-12(15)8-6-11/h5-10,14-15H,1-4,13H2
InChIKeyXVXSVMOURFHDPJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.07
Rot. Bonds2

About 4-[(4-aminocyclohexyl)amino]phenol

4-[(4-aminocyclohexyl)amino]phenol (PubChem CID 79730932) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)amino]phenol.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)amino]phenol
PubChem CID79730932
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-[(4-aminocyclohexyl)amino]phenol
SMILESNC1CCC(Nc2ccc(O)cc2)CC1
InChIInChI=1S/C12H18N2O/c13-9-1-3-10(4-2-9)14-11-5-7-12(15)8-6-11/h5-10,14-15H,1-4,13H2
InChIKeyXVXSVMOURFHDPJ-UHFFFAOYSA-N
XLogP2.07
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-methylsulfanylphenyl)cyclohexane-1,4-diamine
CID 79736798
5-[(4-aminocyclohexyl)amino]-2-methylphenol
CID 107700897
1-N-(4-aminocyclohexyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 79725282
4-N-[4-(2-methylpropyl)phenyl]cyclohexane-1,4-diamine
CID 115149662
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724276
4-(spiro[4.5]decan-8-ylamino)phenol
CID 114817410
4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine
CID 79724803
4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide
CID 79731100
2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 79731243
4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine
CID 79724721
4-(4-hydroxyanilino)piperidine-1-carboxylic acid
CID 118918090
4-(8-azabicyclo[3.2.1]octan-3-ylamino)phenol
CID 105473051

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)amino]phenol?
The IUPAC name of 4-[(4-aminocyclohexyl)amino]phenol (CID 79730932) is 4-[(4-aminocyclohexyl)amino]phenol.
What is the SMILES notation for 4-[(4-aminocyclohexyl)amino]phenol?
The canonical SMILES for 4-[(4-aminocyclohexyl)amino]phenol is NC1CCC(Nc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)amino]phenol?
The InChIKey is XVXSVMOURFHDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-9-1-3-10(4-2-9)14-11-5-7-12(15)8-6-11/h5-10,14-15H,1-4,13H2.
What are the key properties of 4-[(4-aminocyclohexyl)amino]phenol?
4-[(4-aminocyclohexyl)amino]phenol has a molecular weight of 206.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)amino]phenol is sourced from PubChem (CID 79730932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).