1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine

C19H26N2O4 — CID 14816116

IUPAC1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(C(N)CC(N)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H26N2O4/c1-22-16-7-5-12(9-18(16)24-3)14(20)11-15(21)13-6-8-17(23-2)19(10-13)25-4/h5-10,14-15H,11,20-21H2,1-4H3
InChIKeyVAORMQWBCFTJCP-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.81
Rot. Bonds8

About 1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine

1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine (PubChem CID 14816116) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
PubChem CID14816116
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(C(N)CC(N)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H26N2O4/c1-22-16-7-5-12(9-18(16)24-3)14(20)11-15(21)13-6-8-17(23-2)19(10-13)25-4/h5-10,14-15H,11,20-21H2,1-4H3
InChIKeyVAORMQWBCFTJCP-UHFFFAOYSA-N
XLogP2.81
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339
(4S)-4-amino-4-(3,4-dimethoxyphenyl)butan-2-ol
CID 71044038
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
4-amino-4-(3,4-dimethoxyphenyl)-2-methylbutanoic acid
CID 116938376
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
(1S)-1-(3,4-dimethoxyphenyl)but-3-en-1-amine
CID 11521312
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
1-(3,4-dimethoxyphenyl)-2-ethylsulfonylethanamine
CID 64645587
(1R)-2-cyclopropyl-1-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 171199341
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine?
The IUPAC name of 1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine (CID 14816116) is 1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for 1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine?
The canonical SMILES for 1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine is COc1ccc(C(N)CC(N)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine?
The InChIKey is VAORMQWBCFTJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-22-16-7-5-12(9-18(16)24-3)14(20)11-15(21)13-6-8-17(23-2)19(10-13)25-4/h5-10,14-15H,11,20-21H2,1-4H3.
What are the key properties of 1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine?
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine has a molecular weight of 346.43 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 14816116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).