1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol

C14H20ClNO3 — CID 65210732

IUPAC1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol
SMILESCOc1cc(OC)c(NCC2(O)CCCC2)cc1Cl
InChIInChI=1S/C14H20ClNO3/c1-18-12-8-13(19-2)11(7-10(12)15)16-9-14(17)5-3-4-6-14/h7-8,16-17H,3-6,9H2,1-2H3
InChIKeyVNOYRHUGEHHQGQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.07
Rot. Bonds5

About 1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol

1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol (PubChem CID 65210732) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol
PubChem CID65210732
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol
SMILESCOc1cc(OC)c(NCC2(O)CCCC2)cc1Cl
InChIInChI=1S/C14H20ClNO3/c1-18-12-8-13(19-2)11(7-10(12)15)16-9-14(17)5-3-4-6-14/h7-8,16-17H,3-6,9H2,1-2H3
InChIKeyVNOYRHUGEHHQGQ-UHFFFAOYSA-N
XLogP3.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65210681
1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
CID 131701666
1-[(3,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65211407
[4-[(5-chloro-2,4-dimethoxyanilino)methyl]phenyl]methanol
CID 110006437
1-[(5-chloro-2-methoxy-4-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245026
2-(5-chloro-2,4-dimethoxyanilino)acetamide
CID 28576076
3-(5-chloro-2,4-dimethoxyanilino)-2,2-dimethylpropan-1-ol
CID 81413769
N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine
CID 28576071
3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropan-1-ol
CID 113343821
1-[(4-amino-2-chloroanilino)methyl]cycloheptan-1-ol
CID 65123434
2-(4-chloro-2,5-dimethoxyanilino)acetonitrile
CID 28572786
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol (CID 65210732) is 1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol is COc1cc(OC)c(NCC2(O)CCCC2)cc1Cl.
What is the InChIKey of 1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol?
The InChIKey is VNOYRHUGEHHQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-18-12-8-13(19-2)11(7-10(12)15)16-9-14(17)5-3-4-6-14/h7-8,16-17H,3-6,9H2,1-2H3.
What are the key properties of 1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol?
1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol has a molecular weight of 285.77 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65210732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).