[1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol

C14H22N2O2 — CID 80739767

IUPAC[1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol
SMILESCCOc1cc(N)cc(NC2(CO)CCCC2)c1
InChIInChI=1S/C14H22N2O2/c1-2-18-13-8-11(15)7-12(9-13)16-14(10-17)5-3-4-6-14/h7-9,16-17H,2-6,10,15H2,1H3
InChIKeyGFQYWWGDGQQKSL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds5

About [1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol

[1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol (PubChem CID 80739767) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol
PubChem CID80739767
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol
SMILESCCOc1cc(N)cc(NC2(CO)CCCC2)c1
InChIInChI=1S/C14H22N2O2/c1-2-18-13-8-11(15)7-12(9-13)16-14(10-17)5-3-4-6-14/h7-9,16-17H,2-6,10,15H2,1H3
InChIKeyGFQYWWGDGQQKSL-UHFFFAOYSA-N
XLogP2.38
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
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

[1-(3-amino-5-methoxyanilino)cyclohexyl]methanol
CID 80739666
[1-(3-amino-5-propoxyanilino)-4-methylcyclohexyl]methanol
CID 80739430
3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine
CID 80738185
3,5-diethoxyaniline
CID 22605063
3-N-(cyclohexylmethyl)-5-ethoxybenzene-1,3-diamine
CID 80723108
[1-(4-amino-2,6-dichloroanilino)cyclopentyl]methanol
CID 106890321
5-ethoxy-3-N-(2-methylcyclopropyl)benzene-1,3-diamine
CID 80739437
3-N-(3-methyloxolan-3-yl)-5-propoxybenzene-1,3-diamine
CID 113481924
3-N-butyl-5-ethoxybenzene-1,3-diamine
CID 80722072
5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine
CID 80745810
5-ethoxy-3-N-[(4-ethylcyclohexyl)methyl]benzene-1,3-diamine
CID 80738399
[1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
CID 79049390

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol?
The IUPAC name of [1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol (CID 80739767) is [1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol.
What is the SMILES notation for [1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol?
The canonical SMILES for [1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol is CCOc1cc(N)cc(NC2(CO)CCCC2)c1.
What is the InChIKey of [1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol?
The InChIKey is GFQYWWGDGQQKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-18-13-8-11(15)7-12(9-13)16-14(10-17)5-3-4-6-14/h7-9,16-17H,2-6,10,15H2,1H3.
What are the key properties of [1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol?
[1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol has a molecular weight of 250.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-5-ethoxyanilino)cyclopentyl]methanol is sourced from PubChem (CID 80739767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).