2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol

C14H21NO2 — CID 113394671

IUPAC2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
SMILESOc1ccccc1CNC1CCCCCC1O
InChIInChI=1S/C14H21NO2/c16-13-8-5-4-6-11(13)10-15-12-7-2-1-3-9-14(12)17/h4-6,8,12,14-17H,1-3,7,9-10H2
InChIKeyPQGZKUYFADCTAB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.18
Rot. Bonds3

About 2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol

2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol (PubChem CID 113394671) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
PubChem CID113394671
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
SMILESOc1ccccc1CNC1CCCCCC1O
InChIInChI=1S/C14H21NO2/c16-13-8-5-4-6-11(13)10-15-12-7-2-1-3-9-14(12)17/h4-6,8,12,14-17H,1-3,7,9-10H2
InChIKeyPQGZKUYFADCTAB-UHFFFAOYSA-N
XLogP2.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.18
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-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
CID 102734194
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
2-[[[(1R,2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;platinum(2+);dichloride
CID 25192413
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
2-[(2-fluorophenyl)methylamino]cyclopentan-1-ol
CID 60713458
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
2-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 55063844
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol?
The IUPAC name of 2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol (CID 113394671) is 2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol is Oc1ccccc1CNC1CCCCCC1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol?
The InChIKey is PQGZKUYFADCTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-13-8-5-4-6-11(13)10-15-12-7-2-1-3-9-14(12)17/h4-6,8,12,14-17H,1-3,7,9-10H2.
What are the key properties of 2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol?
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol is sourced from PubChem (CID 113394671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).