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

C13H20N2O — CID 80735658

IUPAC5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(NC2CCCC2C)c1
InChIInChI=1S/C13H20N2O/c1-9-4-3-5-13(9)15-11-6-10(14)7-12(8-11)16-2/h6-9,13,15H,3-5,14H2,1-2H3
InChIKeyKNZHIXOYAIZZSW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.88
Rot. Bonds3

About 5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine

5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine (PubChem CID 80735658) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine
PubChem CID80735658
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine
SMILESCOc1cc(N)cc(NC2CCCC2C)c1
InChIInChI=1S/C13H20N2O/c1-9-4-3-5-13(9)15-11-6-10(14)7-12(8-11)16-2/h6-9,13,15H,3-5,14H2,1-2H3
InChIKeyKNZHIXOYAIZZSW-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

3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine
CID 80735235
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
3-N-(2-ethylsulfanylcyclopentyl)-5-methoxybenzene-1,3-diamine
CID 114121331
3,5-difluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923141
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
5-ethoxy-3-N-(2-methylcyclopropyl)benzene-1,3-diamine
CID 80739437
N-(2,6-dimethylcyclohexyl)-3-fluoro-5-methoxyaniline
CID 114262716
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
5-methoxy-3-N-(1-oxothian-4-yl)benzene-1,3-diamine
CID 113479702
3-N-(4-ethylcyclohexyl)-5-methoxybenzene-1,3-diamine
CID 80745621
4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65045492
3-N-(cyclopropylmethyl)-5-methoxybenzene-1,3-diamine
CID 80726384

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine?
The IUPAC name of 5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine (CID 80735658) is 5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine.
What is the SMILES notation for 5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine?
The canonical SMILES for 5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine is COc1cc(N)cc(NC2CCCC2C)c1.
What is the InChIKey of 5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine?
The InChIKey is KNZHIXOYAIZZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-3-5-13(9)15-11-6-10(14)7-12(8-11)16-2/h6-9,13,15H,3-5,14H2,1-2H3.
What are the key properties of 5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine?
5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-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 5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine is sourced from PubChem (CID 80735658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).