N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine

C14H22N2O — CID 116935200

IUPACN'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(N)CNC2CC2)c(C)c1C
InChIInChI=1S/C14H22N2O/c1-9-10(2)14(17-3)7-6-12(9)13(15)8-16-11-4-5-11/h6-7,11,13,16H,4-5,8,15H2,1-3H3
InChIKeyYJMRIBYELCPCBL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.06
Rot. Bonds5

About N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine

N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine (PubChem CID 116935200) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
PubChem CID116935200
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(N)CNC2CC2)c(C)c1C
InChIInChI=1S/C14H22N2O/c1-9-10(2)14(17-3)7-6-12(9)13(15)8-16-11-4-5-11/h6-7,11,13,16H,4-5,8,15H2,1-3H3
InChIKeyYJMRIBYELCPCBL-UHFFFAOYSA-N
XLogP2.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
CID 116935148
N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine
CID 116935201
N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine
CID 112514545
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936485
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-1-ylethanamine
CID 82303036
N'-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116935221
N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine
CID 116935183
2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 96677935
N-[3-(2,6-dimethoxyphenoxy)-2-methylpropyl]cyclopropanamine
CID 62450901

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine (CID 116935200) is N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine is COc1ccc(C(N)CNC2CC2)c(C)c1C.
What is the InChIKey of N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is YJMRIBYELCPCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-10(2)14(17-3)7-6-12(9)13(15)8-16-11-4-5-11/h6-7,11,13,16H,4-5,8,15H2,1-3H3.
What are the key properties of N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine?
N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116935200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).