1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine

C16H28N2O — CID 55139909

IUPAC1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNC(CN(C)CCCOC)c1ccc(C)c(C)c1
InChIInChI=1S/C16H28N2O/c1-13-7-8-15(11-14(13)2)16(17-3)12-18(4)9-6-10-19-5/h7-8,11,16-17H,6,9-10,12H2,1-5H3
InChIKeyPFATXPBTBVZOLK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.53
Rot. Bonds8

About 1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine

1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 55139909) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID55139909
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNC(CN(C)CCCOC)c1ccc(C)c(C)c1
InChIInChI=1S/C16H28N2O/c1-13-7-8-15(11-14(13)2)16(17-3)12-18(4)9-6-10-19-5/h7-8,11,16-17H,6,9-10,12H2,1-5H3
InChIKeyPFATXPBTBVZOLK-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63695773
[1-(3,4-dimethylphenyl)-4-methoxybutyl]hydrazine
CID 105225093
1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 63693627
1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63469119
N'-(3-methoxypropyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 55140895
1-(4-bromo-3-methylphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105055012
1-(3,4-dimethylphenyl)-N-methyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 63468338
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271
N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983603
1-(3,4-dimethylphenyl)-N,N'-dimethyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63726652
N-[1-(3,4-dimethylphenyl)ethyl]-5-methoxypentan-1-amine
CID 103779839
N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62985012

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine (CID 55139909) is 1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine is CNC(CN(C)CCCOC)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is PFATXPBTBVZOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13-7-8-15(11-14(13)2)16(17-3)12-18(4)9-6-10-19-5/h7-8,11,16-17H,6,9-10,12H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine?
1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N'-(3-methoxypropyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 55139909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).