4-amino-2-[3-(cyclopropylamino)propyl]phenol

C12H18N2O — CID 84674547

IUPAC4-amino-2-[3-(cyclopropylamino)propyl]phenol
SMILESNc1ccc(O)c(CCCNC2CC2)c1
InChIInChI=1S/C12H18N2O/c13-10-3-6-12(15)9(8-10)2-1-7-14-11-4-5-11/h3,6,8,11,14-15H,1-2,4-5,7,13H2
InChIKeyBRYAZYJDXOBYOK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.66
Rot. Bonds5

About 4-amino-2-[3-(cyclopropylamino)propyl]phenol

4-amino-2-[3-(cyclopropylamino)propyl]phenol (PubChem CID 84674547) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-amino-2-[3-(cyclopropylamino)propyl]phenol.

Molecular Properties

Compound Name4-amino-2-[3-(cyclopropylamino)propyl]phenol
PubChem CID84674547
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-amino-2-[3-(cyclopropylamino)propyl]phenol
SMILESNc1ccc(O)c(CCCNC2CC2)c1
InChIInChI=1S/C12H18N2O/c13-10-3-6-12(15)9(8-10)2-1-7-14-11-4-5-11/h3,6,8,11,14-15H,1-2,4-5,7,13H2
InChIKeyBRYAZYJDXOBYOK-UHFFFAOYSA-N
XLogP1.66
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea
CID 62697958
4-[5-[3-(cyclopropylamino)propyl]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
CID 136885721
5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine
CID 64503512
N-[3-(2-bromophenyl)propyl]cyclopropanamine
CID 62528627
4-amino-2-(hydroperoxymethyl)phenol
CID 59888493
4-amino-2-(aminomethyl)phenol;dihydrochloride
CID 5463812
4-amino-2-(hydroperoxymethyl)phenol;vanadium
CID 159326049
4-amino-2-(3-aminobutyl)phenol
CID 84657538
4-amino-2-(oxiran-2-ylmethyl)phenol
CID 22610788
N-(3-isoquinolin-4-ylpropyl)cyclopropanamine
CID 64506104
4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
CID 63955917
2-[[(4-aminocyclohexyl)amino]methyl]-4-chlorophenol
CID 55062770

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-(cyclopropylamino)propyl]phenol?
The IUPAC name of 4-amino-2-[3-(cyclopropylamino)propyl]phenol (CID 84674547) is 4-amino-2-[3-(cyclopropylamino)propyl]phenol.
What is the SMILES notation for 4-amino-2-[3-(cyclopropylamino)propyl]phenol?
The canonical SMILES for 4-amino-2-[3-(cyclopropylamino)propyl]phenol is Nc1ccc(O)c(CCCNC2CC2)c1.
What is the InChIKey of 4-amino-2-[3-(cyclopropylamino)propyl]phenol?
The InChIKey is BRYAZYJDXOBYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-10-3-6-12(15)9(8-10)2-1-7-14-11-4-5-11/h3,6,8,11,14-15H,1-2,4-5,7,13H2.
What are the key properties of 4-amino-2-[3-(cyclopropylamino)propyl]phenol?
4-amino-2-[3-(cyclopropylamino)propyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-(cyclopropylamino)propyl]phenol is sourced from PubChem (CID 84674547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).