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

C14H21NO3 — CID 65210681

IUPAC1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol
SMILESCOc1ccc(OC)c(NCC2(O)CCCC2)c1
InChIInChI=1S/C14H21NO3/c1-17-11-5-6-13(18-2)12(9-11)15-10-14(16)7-3-4-8-14/h5-6,9,15-16H,3-4,7-8,10H2,1-2H3
InChIKeyDWQGPLBJVVZOBV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.42
Rot. Bonds5

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

1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol (PubChem CID 65210681) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol
PubChem CID65210681
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol
SMILESCOc1ccc(OC)c(NCC2(O)CCCC2)c1
InChIInChI=1S/C14H21NO3/c1-17-11-5-6-13(18-2)12(9-11)15-10-14(16)7-3-4-8-14/h5-6,9,15-16H,3-4,7-8,10H2,1-2H3
InChIKeyDWQGPLBJVVZOBV-UHFFFAOYSA-N
XLogP2.42
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
CID 131701666
1-[(5-chloro-2,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65210732
1-[(3,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65211407
1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
2-[1-[(2,5-dimethoxyanilino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071796
1-[(3,5-dimethoxyanilino)methyl]cycloheptan-1-ol
CID 60896943
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
5-(2,5-dimethoxyanilino)pentanenitrile
CID 60680727
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
CID 111431601
1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111114436
1-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60969780

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol (CID 65210681) is 1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol is COc1ccc(OC)c(NCC2(O)CCCC2)c1.
What is the InChIKey of 1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol?
The InChIKey is DWQGPLBJVVZOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-11-5-6-13(18-2)12(9-11)15-10-14(16)7-3-4-8-14/h5-6,9,15-16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol?
1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65210681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).