1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol

C13H20N2O — CID 65103274

IUPAC1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol
SMILESCc1ccc(NCC2(O)CCCC2)cc1N
InChIInChI=1S/C13H20N2O/c1-10-4-5-11(8-12(10)14)15-9-13(16)6-2-3-7-13/h4-5,8,15-16H,2-3,6-7,9,14H2,1H3
InChIKeyYBZGSZORJYCQON-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.29
Rot. Bonds3

About 1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol

1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol (PubChem CID 65103274) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol
PubChem CID65103274
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol
SMILESCc1ccc(NCC2(O)CCCC2)cc1N
InChIInChI=1S/C13H20N2O/c1-10-4-5-11(8-12(10)14)15-9-13(16)6-2-3-7-13/h4-5,8,15-16H,2-3,6-7,9,14H2,1H3
InChIKeyYBZGSZORJYCQON-UHFFFAOYSA-N
XLogP2.29
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
CID 65210645
2-amino-4-[(1-hydroxycycloheptyl)methylamino]benzenesulfonamide
CID 79466711
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
1-[(3,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65211407
1-[(3,4-diaminoanilino)methyl]-3-methylcyclohexan-1-ol
CID 106750915
1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,3-diamine
CID 62911471
1-[(4-methylsulfanylanilino)methyl]cyclohexan-1-ol
CID 60899212
N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
CID 60898504
1-[(3-amino-4-nitroanilino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 106749396
1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
CID 62332412
2-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]benzenesulfonamide
CID 79466710

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol (CID 65103274) is 1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol is Cc1ccc(NCC2(O)CCCC2)cc1N.
What is the InChIKey of 1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol?
The InChIKey is YBZGSZORJYCQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-5-11(8-12(10)14)15-9-13(16)6-2-3-7-13/h4-5,8,15-16H,2-3,6-7,9,14H2,1H3.
What are the key properties of 1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol?
1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65103274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).