2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol

C12H17NO2 — CID 102734194

IUPAC2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
SMILESOc1ccccc1CN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H17NO2/c14-11-6-2-1-4-9(11)8-13-10-5-3-7-12(10)15/h1-2,4,6,10,12-15H,3,5,7-8H2/t10-,12-/m1/s1
InChIKeyPYBCVWXVNMKILQ-ZYHUDNBSSA-N
MW207.27 g/mol
LogP1.40
Rot. Bonds3

About 2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol

2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol (PubChem CID 102734194) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
PubChem CID102734194
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
SMILESOc1ccccc1CN[C@@H]1CCC[C@H]1O
InChIInChI=1S/C12H17NO2/c14-11-6-2-1-4-9(11)8-13-10-5-3-7-12(10)15/h1-2,4,6,10,12-15H,3,5,7-8H2/t10-,12-/m1/s1
InChIKeyPYBCVWXVNMKILQ-ZYHUDNBSSA-N
XLogP1.40
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.40
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

2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
2-[(2-fluorophenyl)methylamino]cyclopentan-1-ol
CID 60713458
2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride
CID 25192413
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298
2-[[(2-hydroxycyclopentyl)amino]methyl]benzonitrile
CID 115768010
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
4-bromo-2-[[(2-hydroxycyclohexyl)amino]methyl]phenol
CID 103668553
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol
CID 130698269

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol?
The IUPAC name of 2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol (CID 102734194) is 2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol is Oc1ccccc1CN[C@@H]1CCC[C@H]1O.
What is the InChIKey of 2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol?
The InChIKey is PYBCVWXVNMKILQ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H17NO2/c14-11-6-2-1-4-9(11)8-13-10-5-3-7-12(10)15/h1-2,4,6,10,12-15H,3,5,7-8H2/t10-,12-/m1/s1.
What are the key properties of 2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol?
2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol is sourced from PubChem (CID 102734194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).