1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine

C13H20N2O — CID 62088185

IUPAC1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine
SMILESCOC1CCCC1Nc1ccc(C)cc1N
InChIInChI=1S/C13H20N2O/c1-9-6-7-11(10(14)8-9)15-12-4-3-5-13(12)16-2/h6-8,12-13,15H,3-5,14H2,1-2H3
InChIKeyUQGLWRRXBJUCOG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.56
Rot. Bonds3

About 1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine

1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine (PubChem CID 62088185) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine
PubChem CID62088185
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine
SMILESCOC1CCCC1Nc1ccc(C)cc1N
InChIInChI=1S/C13H20N2O/c1-9-6-7-11(10(14)8-9)15-12-4-3-5-13(12)16-2/h6-8,12-13,15H,3-5,14H2,1-2H3
InChIKeyUQGLWRRXBJUCOG-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-cyclopropyl-4-methylbenzene-1,2-diamine
CID 43349417
4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 82906942
1-N-cyclopropyl-4-methylbenzene-1,2-diamine;ethane
CID 162380718
2-amino-3-[(2-methoxycyclopentyl)amino]benzonitrile
CID 113444746
2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoic acid
CID 62089002
methyl 2-amino-4-fluoro-5-[(2-methoxycyclopentyl)amino]benzoate
CID 62087029
1-N-(2-cyclopropyloxolan-3-yl)-4-methylbenzene-1,2-diamine
CID 114118630
4-N-(2-methoxycyclopentyl)pyrimidine-2,4,6-triamine
CID 80817558
2,4,5-trifluoro-N-(2-methoxycyclohexyl)aniline
CID 62815537
N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline
CID 54861611
5-bromo-2-[(2-methoxycyclohexyl)amino]benzonitrile
CID 82708321
2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 79467242

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine (CID 62088185) is 1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine is COC1CCCC1Nc1ccc(C)cc1N.
What is the InChIKey of 1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine?
The InChIKey is UQGLWRRXBJUCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-6-7-11(10(14)8-9)15-12-4-3-5-13(12)16-2/h6-8,12-13,15H,3-5,14H2,1-2H3.
What are the key properties of 1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine?
1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 62088185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).