1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol

C14H21NO2 — CID 126846856

IUPAC1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol
SMILESOCCc1ccc(NCC2(O)CCCC2)cc1
InChIInChI=1S/C14H21NO2/c16-10-7-12-3-5-13(6-4-12)15-11-14(17)8-1-2-9-14/h3-6,15-17H,1-2,7-11H2
InChIKeyOXELPNMJUYNDNU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.94
Rot. Bonds5

About 1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol

1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol (PubChem CID 126846856) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol
PubChem CID126846856
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol
SMILESOCCc1ccc(NCC2(O)CCCC2)cc1
InChIInChI=1S/C14H21NO2/c16-10-7-12-3-5-13(6-4-12)15-11-14(17)8-1-2-9-14/h3-6,15-17H,1-2,7-11H2
InChIKeyOXELPNMJUYNDNU-UHFFFAOYSA-N
XLogP1.94
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol
CID 63179697
1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
CID 60899212
1-[(4-morpholin-4-ylanilino)methyl]cyclohexan-1-ol
CID 63180472
1-[[4-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
CID 65110379
3-[(4-fluoroanilino)methyl]piperidin-3-ol
CID 105482018
1-[(3,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65211407
1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol
CID 65103274
1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
CID 65210645
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
1-[(3-butylanilino)methyl]cyclohexan-1-ol
CID 90045580
[1-[(4-pentylanilino)methyl]cyclohexyl]methanol
CID 81400832
1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol
CID 60900892

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol (CID 126846856) is 1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol is OCCc1ccc(NCC2(O)CCCC2)cc1.
What is the InChIKey of 1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol?
The InChIKey is OXELPNMJUYNDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-10-7-12-3-5-13(6-4-12)15-11-14(17)8-1-2-9-14/h3-6,15-17H,1-2,7-11H2.
What are the key properties of 1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol?
1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 126846856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).