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

C16H28N2O3 — CID 43268553

IUPACN-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H28N2O3/c1-6-8-18(7-2)13(11-17)12-9-15(20-4)16(21-5)10-14(12)19-3/h9-10,13H,6-8,11,17H2,1-5H3
InChIKeyFIRXOAQYPRGKJY-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.44
Rot. Bonds9

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

N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine (PubChem CID 43268553) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
PubChem CID43268553
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
SMILESCCCN(CC)C(CN)c1cc(OC)c(OC)cc1OC
InChIInChI=1S/C16H28N2O3/c1-6-8-18(7-2)13(11-17)12-9-15(20-4)16(21-5)10-14(12)19-3/h9-10,13H,6-8,11,17H2,1-5H3
InChIKeyFIRXOAQYPRGKJY-UHFFFAOYSA-N
XLogP2.44
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61444733
1-(2,5-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 16642878
(1R)-1-(2,4-dimethoxyphenyl)-N,N-diethylethane-1,2-diamine
CID 93489442
1-(5-bromo-2-methoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273515
1-(2-bromo-5-fluorophenyl)-N-ethyl-N-propylethane-1,2-diamine
CID 114077689
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
CID 43268541
1-[2-(difluoromethoxy)phenyl]-N-ethyl-N-propylethane-1,2-diamine
CID 43268646
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 65021962
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497
1-(2-methoxy-4,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82286999

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine (CID 43268553) is N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine is CCCN(CC)C(CN)c1cc(OC)c(OC)cc1OC.
What is the InChIKey of N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is FIRXOAQYPRGKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-6-8-18(7-2)13(11-17)12-9-15(20-4)16(21-5)10-14(12)19-3/h9-10,13H,6-8,11,17H2,1-5H3.
What are the key properties of N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine?
N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 296.41 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43268553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).