N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine

C13H22N2O — CID 115198252

IUPACN'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine
SMILESCCc1ccc(OC)c(NCC(C)CN)c1
InChIInChI=1S/C13H22N2O/c1-4-11-5-6-13(16-3)12(7-11)15-9-10(2)8-14/h5-7,10,15H,4,8-9,14H2,1-3H3
InChIKeyWGYXWOYGILQROY-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.26
Rot. Bonds6

About N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine

N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine (PubChem CID 115198252) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine
PubChem CID115198252
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine
SMILESCCc1ccc(OC)c(NCC(C)CN)c1
InChIInChI=1S/C13H22N2O/c1-4-11-5-6-13(16-3)12(7-11)15-9-10(2)8-14/h5-7,10,15H,4,8-9,14H2,1-3H3
InChIKeyWGYXWOYGILQROY-UHFFFAOYSA-N
XLogP2.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 115198315
4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide
CID 115156220
N-(bromomethyl)-5-ethyl-2-methoxyaniline
CID 115261556
N'-(5-ethyl-2-methoxyphenyl)-N-methylmethanediamine
CID 115226519
5-ethyl-2-methoxy-N-(2-methoxyethyl)aniline
CID 98783313
2-(5-ethyl-2-methoxyanilino)ethanethiol
CID 115223657
N-(2-chloroethyl)-5-ethyl-2-methoxyaniline
CID 115214591
4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924943
3-(5-ethyl-2-methoxyanilino)-2,2-dimethylpropan-1-ol
CID 115135120
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
2-(4-ethyl-2-methoxyphenoxy)-2-(4-methylphenyl)ethanamine
CID 107664014

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine (CID 115198252) is N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine is CCc1ccc(OC)c(NCC(C)CN)c1.
What is the InChIKey of N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine?
The InChIKey is WGYXWOYGILQROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-11-5-6-13(16-3)12(7-11)15-9-10(2)8-14/h5-7,10,15H,4,8-9,14H2,1-3H3.
What are the key properties of N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine?
N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-2-methoxyphenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115198252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).