N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine

C13H22N2O — CID 56828624

IUPACN'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine
SMILESCCC(c1ccc(OC)cc1)N(C)CCN
InChIInChI=1S/C13H22N2O/c1-4-13(15(2)10-9-14)11-5-7-12(16-3)8-6-11/h5-8,13H,4,9-10,14H2,1-3H3
InChIKeyDKBHIZRQCLZEIU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.04
Rot. Bonds6

About N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine

N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine (PubChem CID 56828624) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine
PubChem CID56828624
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine
SMILESCCC(c1ccc(OC)cc1)N(C)CCN
InChIInChI=1S/C13H22N2O/c1-4-13(15(2)10-9-14)11-5-7-12(16-3)8-6-11/h5-8,13H,4,9-10,14H2,1-3H3
InChIKeyDKBHIZRQCLZEIU-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine (CID 56828624) is N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine is CCC(c1ccc(OC)cc1)N(C)CCN.
What is the InChIKey of N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine?
The InChIKey is DKBHIZRQCLZEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-13(15(2)10-9-14)11-5-7-12(16-3)8-6-11/h5-8,13H,4,9-10,14H2,1-3H3.
What are the key properties of N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine?
N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 56828624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).