2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol

C15H22N2O — CID 152659817

IUPAC2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol
SMILESNC1CCC(NC2(c3ccccc3O)CC2)CC1
InChIInChI=1S/C15H22N2O/c16-11-5-7-12(8-6-11)17-15(9-10-15)13-3-1-2-4-14(13)18/h1-4,11-12,17-18H,5-10,16H2
InChIKeyZJHVQOJDPFLLIM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.24
Rot. Bonds3

About 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol

2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol (PubChem CID 152659817) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol.

Molecular Properties

Compound Name2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol
PubChem CID152659817
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol
SMILESNC1CCC(NC2(c3ccccc3O)CC2)CC1
InChIInChI=1S/C15H22N2O/c16-11-5-7-12(8-6-11)17-15(9-10-15)13-3-1-2-4-14(13)18/h1-4,11-12,17-18H,5-10,16H2
InChIKeyZJHVQOJDPFLLIM-UHFFFAOYSA-N
XLogP2.24
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bromophenyl)cyclopropyl]cyclopentanamine
CID 115902054
4-N-(2,3-dihydro-1H-inden-2-yl)cyclohexane-1,4-diamine
CID 62313141
2-[(4-aminocyclohexyl)amino]benzenesulfonic acid
CID 54476877
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932
4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine
CID 62314935
N-[1-(2-chlorophenyl)cyclopropyl]-1,4-dithiepan-6-amine
CID 122563455
N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide
CID 119477938
4-N-tritylcyclohexane-1,4-diamine
CID 18919397
1-(cyclopropylamino)-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 43754606
4-(cyclopropylamino)-2,3-dihydrothiochromene-4-carboxamide
CID 60795674
1-cyclopropyl-3-[1-(2-fluorophenyl)cyclopropyl]urea
CID 110469627
N-(4-aminocyclohexyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119478308

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol?
The IUPAC name of 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol (CID 152659817) is 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol.
What is the SMILES notation for 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol?
The canonical SMILES for 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol is NC1CCC(NC2(c3ccccc3O)CC2)CC1.
What is the InChIKey of 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol?
The InChIKey is ZJHVQOJDPFLLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-11-5-7-12(8-6-11)17-15(9-10-15)13-3-1-2-4-14(13)18/h1-4,11-12,17-18H,5-10,16H2.
What are the key properties of 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol?
2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol has a molecular weight of 246.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-aminocyclohexyl)amino]cyclopropyl]phenol is sourced from PubChem (CID 152659817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).