3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol

C13H20N2O2 — CID 106119533

IUPAC3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
SMILESCOc1ccc(NCC2CCC(O)C2)c(N)c1
InChIInChI=1S/C13H20N2O2/c1-17-11-4-5-13(12(14)7-11)15-8-9-2-3-10(16)6-9/h4-5,7,9-10,15-16H,2-3,6,8,14H2,1H3
InChIKeySWBYZPMUWRGJLH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.85
Rot. Bonds4

About 3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol

3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol (PubChem CID 106119533) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
PubChem CID106119533
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol
SMILESCOc1ccc(NCC2CCC(O)C2)c(N)c1
InChIInChI=1S/C13H20N2O2/c1-17-11-4-5-13(12(14)7-11)15-8-9-2-3-10(16)6-9/h4-5,7,9-10,15-16H,2-3,6,8,14H2,1H3
InChIKeySWBYZPMUWRGJLH-UHFFFAOYSA-N
XLogP1.85
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzenesulfonamide
CID 106119187
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755
3-[(2-amino-4,5-dimethoxyanilino)methyl]cyclohexan-1-ol
CID 106120053
4-(2-amino-4-methoxyanilino)cyclohexan-1-ol
CID 18509700
3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol
CID 106119622
2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline
CID 130877520
4-[(2-amino-4-methylsulfonylanilino)methyl]cyclohexan-1-ol
CID 106120085
3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
3-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270839
3-[(4-amino-2-bromo-5-methylanilino)methyl]cyclopentan-1-ol
CID 114146031
4-[(2-amino-4-fluoro-5-methoxyanilino)methyl]cyclohexan-1-ol
CID 106120140
3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide
CID 106119994

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol (CID 106119533) is 3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol is COc1ccc(NCC2CCC(O)C2)c(N)c1.
What is the InChIKey of 3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol?
The InChIKey is SWBYZPMUWRGJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-11-4-5-13(12(14)7-11)15-8-9-2-3-10(16)6-9/h4-5,7,9-10,15-16H,2-3,6,8,14H2,1H3.
What are the key properties of 3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol?
3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-methoxyanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106119533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).