N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine

C14H24N2O3 — CID 55030359

IUPACN-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
SMILESCCCNC(CN)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H24N2O3/c1-5-6-16-11(9-15)10-7-13(18-3)14(19-4)8-12(10)17-2/h7-8,11,16H,5-6,9,15H2,1-4H3
InChIKeyNMFADMGRPGPVGE-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.71
Rot. Bonds8

About N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine

N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine (PubChem CID 55030359) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
PubChem CID55030359
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
SMILESCCCNC(CN)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H24N2O3/c1-5-6-16-11(9-15)10-7-13(18-3)14(19-4)8-12(10)17-2/h7-8,11,16H,5-6,9,15H2,1-4H3
InChIKeyNMFADMGRPGPVGE-UHFFFAOYSA-N
XLogP1.71
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-N-propylethane-1,2-diamine
CID 62066577
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
N-[2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]propan-1-amine
CID 66204572
2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105005165
1-(3-chloro-4-methoxyphenyl)-N-propylethane-1,2-diamine
CID 65021451
1-(4-bromo-2,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 105056855
1-(4-bromo-2,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 105056859
1-(5-bromo-2-methoxy-4-methylphenyl)-N-propylpropan-1-amine
CID 65433156
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874372
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(5-bromo-2-methoxyphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43493922

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine (CID 55030359) is N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine is CCCNC(CN)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is NMFADMGRPGPVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-6-16-11(9-15)10-7-13(18-3)14(19-4)8-12(10)17-2/h7-8,11,16H,5-6,9,15H2,1-4H3.
What are the key properties of N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine?
N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 268.36 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55030359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).