3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine

C13H20N2O — CID 114543233

IUPAC3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
SMILESCOc1cccc(NC2CCC(C)C2)c1N
InChIInChI=1S/C13H20N2O/c1-9-6-7-10(8-9)15-11-4-3-5-12(16-2)13(11)14/h3-5,9-10,15H,6-8,14H2,1-2H3
InChIKeyBOHRDCMENTYXSV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.88
Rot. Bonds3

About 3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine

3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine (PubChem CID 114543233) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
PubChem CID114543233
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
SMILESCOc1cccc(NC2CCC(C)C2)c1N
InChIInChI=1S/C13H20N2O/c1-9-6-7-10(8-9)15-11-4-3-5-12(16-2)13(11)14/h3-5,9-10,15H,6-8,14H2,1-2H3
InChIKeyBOHRDCMENTYXSV-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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

2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142
4-fluoro-5-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine
CID 114543148
3-bromo-2-methyl-N-(3-methylcyclopentyl)aniline
CID 107629941
3-chloro-1-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 104833978
3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline
CID 64501091
4-methoxy-3-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 64501520
2-bromo-N-(3-methylcyclopentyl)aniline
CID 64501645
2-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine
CID 97044872
2-methyl-1-N-(3-methylcyclopentyl)benzene-1,4-diamine
CID 114543163
3-methoxy-6-methyl-N-(3-methylcyclopentyl)pyridin-2-amine
CID 115908341
ethyl 2-amino-3-[(3-methylcyclohexyl)amino]benzoate
CID 115544799
5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline
CID 64501060

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine?
The IUPAC name of 3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine (CID 114543233) is 3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine is COc1cccc(NC2CCC(C)C2)c1N.
What is the InChIKey of 3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine?
The InChIKey is BOHRDCMENTYXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-6-7-10(8-9)15-11-4-3-5-12(16-2)13(11)14/h3-5,9-10,15H,6-8,14H2,1-2H3.
What are the key properties of 3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine?
3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N-(3-methylcyclopentyl)benzene-1,2-diamine is sourced from PubChem (CID 114543233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).