1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine

C14H24N2O2 — CID 43271198

IUPAC1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(C)CC(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H24N2O2/c1-5-8-16(2)10-12(15)11-6-7-13(17-3)14(9-11)18-4/h6-7,9,12H,5,8,10,15H2,1-4H3
InChIKeyKTUPBCDZJFRMPG-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.05
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine

1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine (PubChem CID 43271198) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine
PubChem CID43271198
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(C)CC(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H24N2O2/c1-5-8-16(2)10-12(15)11-6-7-13(17-3)14(9-11)18-4/h6-7,9,12H,5,8,10,15H2,1-4H3
InChIKeyKTUPBCDZJFRMPG-UHFFFAOYSA-N
XLogP2.05
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 82107707
N-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]-N-propylpropan-1-amine
CID 82214944
N-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]-N-methylbutan-1-amine
CID 82214957
N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61308176
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107520566
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
1-(3,4-dimethoxyphenyl)-2-ethylsulfonylethanamine
CID 64645587
1-(3,4-dimethylphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294808
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
CID 63699776

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine (CID 43271198) is 1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine is CCCN(C)CC(N)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine?
The InChIKey is KTUPBCDZJFRMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-8-16(2)10-12(15)11-6-7-13(17-3)14(9-11)18-4/h6-7,9,12H,5,8,10,15H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine?
1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 43271198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).