N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine

C13H22N2O — CID 65428987

IUPACN'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCCN(CCN)CCc1ccc(OC)cc1
InChIInChI=1S/C13H22N2O/c1-3-15(11-9-14)10-8-12-4-6-13(16-2)7-5-12/h4-7H,3,8-11,14H2,1-2H3
InChIKeyACPZCNSGPNYZGA-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.52
Rot. Bonds7

About N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine

N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine (PubChem CID 65428987) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine
PubChem CID65428987
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCCN(CCN)CCc1ccc(OC)cc1
InChIInChI=1S/C13H22N2O/c1-3-15(11-9-14)10-8-12-4-6-13(16-2)7-5-12/h4-7H,3,8-11,14H2,1-2H3
InChIKeyACPZCNSGPNYZGA-UHFFFAOYSA-N
XLogP1.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 65430284
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
N-ethyl-N-[2-(4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 174383768
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 78825986
ethane;1-methoxy-4-propylbenzene
CID 142085762
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924846
N',N'-bis[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]ethane-1,2-diamine
CID 141146046
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
10-(4-methoxyphenyl)decan-1-amine
CID 70566558

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine (CID 65428987) is N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine is CCN(CCN)CCc1ccc(OC)cc1.
What is the InChIKey of N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is ACPZCNSGPNYZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15(11-9-14)10-8-12-4-6-13(16-2)7-5-12/h4-7H,3,8-11,14H2,1-2H3.
What are the key properties of N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine?
N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 65428987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).