N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine

C15H27N3O3 — CID 65384159

IUPACN-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(OC)c(C(CN)NCCN(C)C)c(OC)c1
InChIInChI=1S/C15H27N3O3/c1-18(2)7-6-17-12(10-16)15-13(20-4)8-11(19-3)9-14(15)21-5/h8-9,12,17H,6-7,10,16H2,1-5H3
InChIKeyDVWDTZAKGZBFSC-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.86
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine

N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine (PubChem CID 65384159) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine
PubChem CID65384159
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1cc(OC)c(C(CN)NCCN(C)C)c(OC)c1
InChIInChI=1S/C15H27N3O3/c1-18(2)7-6-17-12(10-16)15-13(20-4)8-11(19-3)9-14(15)21-5/h8-9,12,17H,6-7,10,16H2,1-5H3
InChIKeyDVWDTZAKGZBFSC-UHFFFAOYSA-N
XLogP0.86
TPSA68.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 65385216
N-[2-(diethylamino)ethyl]-1-(3,5-dimethoxyphenyl)ethane-1,2-diamine
CID 65383358
N-but-3-yn-2-yl-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine
CID 114415989
N-[2-(dimethylamino)ethyl]-2,4,6-trimethoxybenzamide
CID 110764619
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
CID 82314748
N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116948588
N-[2-(dimethylamino)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65386080
2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61056542
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123
2-[2-(dimethylamino)ethylamino]-2-(6-methoxynaphthalen-2-yl)ethanol
CID 61055334
2-[2-(dimethylamino)ethylamino]-2-(4-methoxy-3-methylphenyl)ethanol
CID 62132457

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine (CID 65384159) is N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine is COc1cc(OC)c(C(CN)NCCN(C)C)c(OC)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is DVWDTZAKGZBFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-18(2)7-6-17-12(10-16)15-13(20-4)8-11(19-3)9-14(15)21-5/h8-9,12,17H,6-7,10,16H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine?
N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 297.40 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).