3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol

C14H21NO2 — CID 80561531

IUPAC3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol
SMILESCCCOc1ccc(C2(O)CCC(N)C2)cc1
InChIInChI=1S/C14H21NO2/c1-2-9-17-13-5-3-11(4-6-13)14(16)8-7-12(15)10-14/h3-6,12,16H,2,7-10,15H2,1H3
InChIKeyHIHXSMMLLJJZKY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds4

About 3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol

3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol (PubChem CID 80561531) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol
PubChem CID80561531
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol
SMILESCCCOc1ccc(C2(O)CCC(N)C2)cc1
InChIInChI=1S/C14H21NO2/c1-2-9-17-13-5-3-11(4-6-13)14(16)8-7-12(15)10-14/h3-6,12,16H,2,7-10,15H2,1H3
InChIKeyHIHXSMMLLJJZKY-UHFFFAOYSA-N
XLogP2.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-ethoxyphenyl)cyclopentan-1-ol
CID 80561943
1-(4-propoxyphenyl)cyclohexane-1,4-diamine
CID 175562161
3-amino-1-(4-methylphenyl)cyclopentan-1-ol
CID 80562597
3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
CID 64734777
[4-(4-butoxyphenyl)-4-hydroxycyclohexyl] propyl carbonate
CID 173400108
pentyl 4-hydroxy-4-(4-propoxyphenyl)cyclohexane-1-carboxylate
CID 19986707
[4-(4-butoxyphenyl)-4-hydroxycyclohexyl] butyl carbonate
CID 173400109
4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
CID 62795398
3,4-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-amine
CID 64733003
octyl 4-hydroxy-4-(4-octoxyphenyl)cyclohexane-1-carboxylate
CID 19986786
hexyl 4-hydroxy-4-(4-octoxyphenyl)cyclohexane-1-carboxylate
CID 19986827
butyl 4-hydroxy-4-(4-octoxyphenyl)cyclohexane-1-carboxylate
CID 19986815

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol?
The IUPAC name of 3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol (CID 80561531) is 3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol is CCCOc1ccc(C2(O)CCC(N)C2)cc1.
What is the InChIKey of 3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol?
The InChIKey is HIHXSMMLLJJZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-9-17-13-5-3-11(4-6-13)14(16)8-7-12(15)10-14/h3-6,12,16H,2,7-10,15H2,1H3.
What are the key properties of 3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol?
3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol is sourced from PubChem (CID 80561531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).