N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine

C14H22N2O2 — CID 116935201

IUPACN'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine
SMILESCOc1cc(C(N)CNC2CC2)c(OC)cc1C
InChIInChI=1S/C14H22N2O2/c1-9-6-14(18-3)11(7-13(9)17-2)12(15)8-16-10-4-5-10/h6-7,10,12,16H,4-5,8,15H2,1-3H3
InChIKeyGDOWGJNTVRIZDU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.76
Rot. Bonds6

About N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine

N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine (PubChem CID 116935201) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine
PubChem CID116935201
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine
SMILESCOc1cc(C(N)CNC2CC2)c(OC)cc1C
InChIInChI=1S/C14H22N2O2/c1-9-6-14(18-3)11(7-13(9)17-2)12(15)8-16-10-4-5-10/h6-7,10,12,16H,4-5,8,15H2,1-3H3
InChIKeyGDOWGJNTVRIZDU-UHFFFAOYSA-N
XLogP1.76
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N'-cyclopropylethane-1,2-diamine
CID 116935148
N'-cyclopropyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116935200
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
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790
1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934918
N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 116950576
1-(5-chloro-2-methoxy-4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935045
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 116934954
[cyclooctyl-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 105255236
4-cycloheptyl-4-(2,5-dimethoxy-4-methylphenyl)butanal
CID 57157289

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine (CID 116935201) is N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine is COc1cc(C(N)CNC2CC2)c(OC)cc1C.
What is the InChIKey of N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine?
The InChIKey is GDOWGJNTVRIZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-6-14(18-3)11(7-13(9)17-2)12(15)8-16-10-4-5-10/h6-7,10,12,16H,4-5,8,15H2,1-3H3.
What are the key properties of N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine?
N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine has a molecular weight of 250.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116935201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).