[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol

C13H20N2O2 — CID 114178402

IUPAC[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol
SMILESCOc1ccc(N)c(NC2CCCC2CO)c1
InChIInChI=1S/C13H20N2O2/c1-17-10-5-6-11(14)13(7-10)15-12-4-2-3-9(12)8-16/h5-7,9,12,15-16H,2-4,8,14H2,1H3
InChIKeyYILHJHCUTPTSDW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.85
Rot. Bonds4

About [2-(2-amino-5-methoxyanilino)cyclopentyl]methanol

[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol (PubChem CID 114178402) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [2-(2-amino-5-methoxyanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol
PubChem CID114178402
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol
SMILESCOc1ccc(N)c(NC2CCCC2CO)c1
InChIInChI=1S/C13H20N2O2/c1-17-10-5-6-11(14)13(7-10)15-12-4-2-3-9(12)8-16/h5-7,9,12,15-16H,2-4,8,14H2,1H3
InChIKeyYILHJHCUTPTSDW-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
[2-[(2,4-dimethoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700479
[2-(4-amino-2-chloroanilino)cyclopentyl]methanol
CID 106359015
[2-(4-amino-2-bromoanilino)cyclopentyl]methanol
CID 106358958
2-(2-amino-5-methoxyanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845814
3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide
CID 106358993
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzamide
CID 106358913
[(1S,2R)-2-[[(5R)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]cyclopentyl]methanol
CID 97063859
N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
CID 63862489
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethoxybenzenesulfonamide
CID 103835940
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436

Frequently Asked Questions

What is the IUPAC name of [2-(2-amino-5-methoxyanilino)cyclopentyl]methanol?
The IUPAC name of [2-(2-amino-5-methoxyanilino)cyclopentyl]methanol (CID 114178402) is [2-(2-amino-5-methoxyanilino)cyclopentyl]methanol.
What is the SMILES notation for [2-(2-amino-5-methoxyanilino)cyclopentyl]methanol?
The canonical SMILES for [2-(2-amino-5-methoxyanilino)cyclopentyl]methanol is COc1ccc(N)c(NC2CCCC2CO)c1.
What is the InChIKey of [2-(2-amino-5-methoxyanilino)cyclopentyl]methanol?
The InChIKey is YILHJHCUTPTSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-10-5-6-11(14)13(7-10)15-12-4-2-3-9(12)8-16/h5-7,9,12,15-16H,2-4,8,14H2,1H3.
What are the key properties of [2-(2-amino-5-methoxyanilino)cyclopentyl]methanol?
[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol 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 [2-(2-amino-5-methoxyanilino)cyclopentyl]methanol is sourced from PubChem (CID 114178402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).