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

C13H22N2O — CID 94548212

IUPACN'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine
SMILESCC[C@@H](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/t13-/m0/s1
InChIKeyDKBHIZRQCLZEIU-ZDUSSCGKSA-N
MW222.33 g/mol
LogP2.04
Rot. Bonds6

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

N'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine (PubChem CID 94548212) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine
PubChem CID94548212
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine
SMILESCC[C@@H](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/t13-/m0/s1
InChIKeyDKBHIZRQCLZEIU-ZDUSSCGKSA-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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Related Compounds

N,N'-bis[(1S)-1-(4-methoxyphenyl)propyl]-N,N'-dimethylmethanediamine
CID 7108155
1-(4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570775
4-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]butan-2-ol
CID 113499536
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420601
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 61437202
2-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510
N-(4-ethylphenyl)-1-(4-methoxyphenyl)-N-methylethane-1,2-diamine
CID 62001612
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62682391
1-(6-methoxynaphthalen-2-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 115985624
3-[[2-amino-1-(4-methoxyphenyl)ethyl]-methylamino]-2-methylpropanenitrile
CID 55016102
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine (CID 94548212) is N'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine is CC[C@@H](c1ccc(OC)cc1)N(C)CCN.
What is the InChIKey of N'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine?
The InChIKey is DKBHIZRQCLZEIU-ZDUSSCGKSA-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/t13-/m0/s1.
What are the key properties of N'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine?
N'-[(1S)-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'-[(1S)-1-(4-methoxyphenyl)propyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 94548212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).