1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol

C13H19NO2 — CID 117316621

IUPAC1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol
SMILESNC1(c2ccccc2C(O)CO)CCCC1
InChIInChI=1S/C13H19NO2/c14-13(7-3-4-8-13)11-6-2-1-5-10(11)12(16)9-15/h1-2,5-6,12,15-16H,3-4,7-9,14H2
InChIKeyLOLHLNWVBDHHGT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.44
Rot. Bonds3

About 1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol

1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol (PubChem CID 117316621) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol
PubChem CID117316621
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol
SMILESNC1(c2ccccc2C(O)CO)CCCC1
InChIInChI=1S/C13H19NO2/c14-13(7-3-4-8-13)11-6-2-1-5-10(11)12(16)9-15/h1-2,5-6,12,15-16H,3-4,7-9,14H2
InChIKeyLOLHLNWVBDHHGT-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795
1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine
CID 117112865
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
1-(2-bromophenyl)cyclopentan-1-amine;hydrochloride
CID 171935306
1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
CID 117327946
(1-aminocyclopentyl)-(2-fluorophenyl)methanol
CID 82283865
1-(2,3-dichlorophenyl)cyclopentan-1-amine
CID 62788667
1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine
CID 117112740
1-[2-[2-(1,2-dihydroxyethyl)phenoxy]phenyl]ethane-1,2-diol
CID 57082676
[2-(1-aminocyclohexyl)phenyl]urea
CID 117338838
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
2-(1-aminocyclopentyl)-6-chlorophenol
CID 131350484

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol?
The IUPAC name of 1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol (CID 117316621) is 1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol is NC1(c2ccccc2C(O)CO)CCCC1.
What is the InChIKey of 1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol?
The InChIKey is LOLHLNWVBDHHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-13(7-3-4-8-13)11-6-2-1-5-10(11)12(16)9-15/h1-2,5-6,12,15-16H,3-4,7-9,14H2.
What are the key properties of 1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol?
1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol has a molecular weight of 221.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol is sourced from PubChem (CID 117316621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).