N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine

C14H22N2O — CID 116935183

IUPACN'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(N)CNC2CC2)cc1C
InChIInChI=1S/C14H22N2O/c1-3-17-14-7-4-11(8-10(14)2)13(15)9-16-12-5-6-12/h4,7-8,12-13,16H,3,5-6,9,15H2,1-2H3
InChIKeyPFMMMYWXKPLKOB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.15
Rot. Bonds6

About N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine

N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine (PubChem CID 116935183) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine
PubChem CID116935183
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(N)CNC2CC2)cc1C
InChIInChI=1S/C14H22N2O/c1-3-17-14-7-4-11(8-10(14)2)13(15)9-16-12-5-6-12/h4,7-8,12-13,16H,3,5-6,9,15H2,1-2H3
InChIKeyPFMMMYWXKPLKOB-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935047
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
CID 116933717
N'-cyclopropyl-1-(2,5-dimethoxy-4-methylphenyl)ethane-1,2-diamine
CID 116935201
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112515939
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112512208
2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 116942673
N'-cyclopropyl-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 116950576
1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
CID 116954340

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine (CID 116935183) is N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine is CCOc1ccc(C(N)CNC2CC2)cc1C.
What is the InChIKey of N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine?
The InChIKey is PFMMMYWXKPLKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-17-14-7-4-11(8-10(14)2)13(15)9-16-12-5-6-12/h4,7-8,12-13,16H,3,5-6,9,15H2,1-2H3.
What are the key properties of N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine?
N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-1-(4-ethoxy-3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116935183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).