4-amino-3-(1-aminocyclopropyl)phenol

C9H12N2O — CID 115012955

IUPAC4-amino-3-(1-aminocyclopropyl)phenol
SMILESNc1ccc(O)cc1C1(N)CC1
InChIInChI=1S/C9H12N2O/c10-8-2-1-6(12)5-7(8)9(11)3-4-9/h1-2,5,12H,3-4,10-11H2
InChIKeyKLRULVSRXQKGFK-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.92
Rot. Bonds1

About 4-amino-3-(1-aminocyclopropyl)phenol

4-amino-3-(1-aminocyclopropyl)phenol (PubChem CID 115012955) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-amino-3-(1-aminocyclopropyl)phenol.

Molecular Properties

Compound Name4-amino-3-(1-aminocyclopropyl)phenol
PubChem CID115012955
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-amino-3-(1-aminocyclopropyl)phenol
SMILESNc1ccc(O)cc1C1(N)CC1
InChIInChI=1S/C9H12N2O/c10-8-2-1-6(12)5-7(8)9(11)3-4-9/h1-2,5,12H,3-4,10-11H2
InChIKeyKLRULVSRXQKGFK-UHFFFAOYSA-N
XLogP0.92
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-aminocyclopropyl)-3-methoxyphenol
CID 84732182
3,3-diamino-1,2-dihydroinden-5-ol
CID 66833532
2-(1-aminocyclopentyl)-4-bromoaniline
CID 89287686
2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde
CID 117293459
3-(1-aminocyclopropyl)-4-chloro-5-methylphenol
CID 84774677
3-(1-aminocyclopropyl)phenol
CID 55296554
5-(1-aminocyclobutyl)naphthalen-2-ol
CID 105466837
3-[4-(1-aminocyclopropyl)-1H-pyrazol-5-yl]phenol
CID 105468684
3-(aminomethyl)-3-methyl-1,2-dihydroinden-5-ol
CID 84717952
3-(1-aminocyclopropyl)-4-bromoaniline
CID 84690977
4-bromo-3-(1-hydroxycyclopentyl)phenol
CID 117104137
3-(1-aminocyclopropyl)-4-chloroaniline
CID 84658821

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-aminocyclopropyl)phenol?
The IUPAC name of 4-amino-3-(1-aminocyclopropyl)phenol (CID 115012955) is 4-amino-3-(1-aminocyclopropyl)phenol.
What is the SMILES notation for 4-amino-3-(1-aminocyclopropyl)phenol?
The canonical SMILES for 4-amino-3-(1-aminocyclopropyl)phenol is Nc1ccc(O)cc1C1(N)CC1.
What is the InChIKey of 4-amino-3-(1-aminocyclopropyl)phenol?
The InChIKey is KLRULVSRXQKGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-8-2-1-6(12)5-7(8)9(11)3-4-9/h1-2,5,12H,3-4,10-11H2.
What are the key properties of 4-amino-3-(1-aminocyclopropyl)phenol?
4-amino-3-(1-aminocyclopropyl)phenol has a molecular weight of 164.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-aminocyclopropyl)phenol is sourced from PubChem (CID 115012955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).