N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine

C16H29N3O2 — CID 65383358

IUPACN-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(CN)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H29N3O2/c1-5-19(6-2)8-7-18-16(12-17)13-9-14(20-3)11-15(10-13)21-4/h9-11,16,18H,5-8,12,17H2,1-4H3
InChIKeyDDHJWIHYFCSMTA-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.63
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine

N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 65383358) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID65383358
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(CN)c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H29N3O2/c1-5-19(6-2)8-7-18-16(12-17)13-9-14(20-3)11-15(10-13)21-4/h9-11,16,18H,5-8,12,17H2,1-4H3
InChIKeyDDHJWIHYFCSMTA-UHFFFAOYSA-N
XLogP1.63
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 65383976
N',N'-diethyl-N-[(1S)-1-(3-methoxyphenyl)-2-phenylethyl]ethane-1,2-diamine
CID 92573728
1-(3-bromo-4-fluorophenyl)-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 65383347
N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 113457103
N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine
CID 65384159
N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65384194
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethoxyphenyl)ethanol
CID 61048021
1-(3,5-dimethoxyphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269422
1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105168322
3-[2-(diethylamino)ethoxy]-5-methoxyaniline
CID 80748413
2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 61036831
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine (CID 65383358) is N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine is CCN(CC)CCNC(CN)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is DDHJWIHYFCSMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-19(6-2)8-7-18-16(12-17)13-9-14(20-3)11-15(10-13)21-4/h9-11,16,18H,5-8,12,17H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine?
N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 295.43 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65383358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).