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

C17H30N2O2 — CID 82107707

IUPAC2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CC(CN)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H30N2O2/c1-5-9-19(10-6-2)13-15(12-18)14-7-8-16(20-3)17(11-14)21-4/h7-8,11,15H,5-6,9-10,12-13,18H2,1-4H3
InChIKeyZAIJWSNJOULIHE-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.87
Rot. Bonds10

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

2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine (PubChem CID 82107707) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
PubChem CID82107707
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CC(CN)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H30N2O2/c1-5-9-19(10-6-2)13-15(12-18)14-7-8-16(20-3)17(11-14)21-4/h7-8,11,15H,5-6,9-10,12-13,18H2,1-4H3
InChIKeyZAIJWSNJOULIHE-UHFFFAOYSA-N
XLogP2.87
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 82107529
N-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]-N-propylpropan-1-amine
CID 82214944
1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine
CID 43271198
(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 95441222
N-[2-chloro-2-(4-methoxy-3-methylphenyl)ethyl]-N-propylpropan-1-amine
CID 82214749
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
4-amino-3-(3,4-dimethoxyphenyl)butanoic acid;hydrochloride
CID 57432823
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)propan-1-amine
CID 82140667
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine (CID 82107707) is 2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine is CCCN(CCC)CC(CN)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine?
The InChIKey is ZAIJWSNJOULIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-9-19(10-6-2)13-15(12-18)14-7-8-16(20-3)17(11-14)21-4/h7-8,11,15H,5-6,9-10,12-13,18H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine?
2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 82107707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).