2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol

C10H13NO2 — CID 117278051

IUPAC2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol
SMILESNC1(Cc2cc(O)ccc2O)CC1
InChIInChI=1S/C10H13NO2/c11-10(3-4-10)6-7-5-8(12)1-2-9(7)13/h1-2,5,12-13H,3-4,6,11H2
InChIKeyOJDSNCJJVNTQHR-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.13
Rot. Bonds2

About 2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol

2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol (PubChem CID 117278051) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol
PubChem CID117278051
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol
SMILESNC1(Cc2cc(O)ccc2O)CC1
InChIInChI=1S/C10H13NO2/c11-10(3-4-10)6-7-5-8(12)1-2-9(7)13/h1-2,5,12-13H,3-4,6,11H2
InChIKeyOJDSNCJJVNTQHR-UHFFFAOYSA-N
XLogP1.13
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.13
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

3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol
CID 117304411
2-(aminomethyl)benzene-1,4-diol;hydrobromide
CID 21390124
4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol
CID 117286707
2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol
CID 117302399
2-[(1-aminocyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 117333690
2-(2-methylprop-2-enyl)benzene-1,4-diol
CID 19744956
6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol
CID 13177868
5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol
CID 117285265
3-[(1-aminocyclopropyl)methyl]-6-bromobenzene-1,2-diol
CID 117398380
2-(3-hydroxypropyl)benzene-1,4-diol
CID 19362191
1,5-bis(2,5-dihydroxyphenyl)pentan-3-one
CID 141060265
3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol
CID 117355624

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol?
The IUPAC name of 2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol (CID 117278051) is 2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol?
The canonical SMILES for 2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol is NC1(Cc2cc(O)ccc2O)CC1.
What is the InChIKey of 2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol?
The InChIKey is OJDSNCJJVNTQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-10(3-4-10)6-7-5-8(12)1-2-9(7)13/h1-2,5,12-13H,3-4,6,11H2.
What are the key properties of 2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol?
2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol has a molecular weight of 179.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopropyl)methyl]benzene-1,4-diol is sourced from PubChem (CID 117278051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).