4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride

C14H16ClN3O — CID 162328536

IUPAC4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride
SMILESCl.N[C@H]1C[C@@H]1c1ccc(Nc2ccc(O)cc2)nc1
InChIInChI=1S/C14H15N3O.ClH/c15-13-7-12(13)9-1-6-14(16-8-9)17-10-2-4-11(18)5-3-10;/h1-6,8,12-13,18H,7,15H2,(H,16,17);1H/t12-,13+;/m1./s1
InChIKeyWWRXBNHAOVGEDI-KZCZEQIWSA-N
MW277.76 g/mol
LogP2.77
Rot. Bonds3

About 4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride

4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride (PubChem CID 162328536) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride.

Molecular Properties

Compound Name4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride
PubChem CID162328536
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride
SMILESCl.N[C@H]1C[C@@H]1c1ccc(Nc2ccc(O)cc2)nc1
InChIInChI=1S/C14H15N3O.ClH/c15-13-7-12(13)9-1-6-14(16-8-9)17-10-2-4-11(18)5-3-10;/h1-6,8,12-13,18H,7,15H2,(H,16,17);1H/t12-,13+;/m1./s1
InChIKeyWWRXBNHAOVGEDI-KZCZEQIWSA-N
XLogP2.77
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride?
The IUPAC name of 4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride (CID 162328536) is 4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride.
What is the SMILES notation for 4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride?
The canonical SMILES for 4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride is Cl.N[C@H]1C[C@@H]1c1ccc(Nc2ccc(O)cc2)nc1.
What is the InChIKey of 4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride?
The InChIKey is WWRXBNHAOVGEDI-KZCZEQIWSA-N. The full InChI is InChI=1S/C14H15N3O.ClH/c15-13-7-12(13)9-1-6-14(16-8-9)17-10-2-4-11(18)5-3-10;/h1-6,8,12-13,18H,7,15H2,(H,16,17);1H/t12-,13+;/m1./s1.
What are the key properties of 4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride?
4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride has a molecular weight of 277.76 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(1R,2S)-2-aminocyclopropyl]-2-pyridinyl]amino]phenol;hydrochloride is sourced from PubChem (CID 162328536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).