1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

C15H26N2O2 — CID 116905986

IUPAC1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(CNC(C)C)N(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-11(2)16-10-14(17(3)4)13-9-12(18-5)7-8-15(13)19-6/h7-9,11,14,16H,10H2,1-6H3
InChIKeyPWNQRQSVBGVXGF-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.30
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116905986) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID116905986
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCOc1ccc(OC)c(C(CNC(C)C)N(C)C)c1
InChIInChI=1S/C15H26N2O2/c1-11(2)16-10-14(17(3)4)13-9-12(18-5)7-8-15(13)19-6/h7-9,11,14,16H,10H2,1-6H3
InChIKeyPWNQRQSVBGVXGF-UHFFFAOYSA-N
XLogP2.30
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanethiol
CID 116908765
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877
3-(2,5-dimethoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83938229
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116906021
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905987
N-[1-(2,5-dimethoxyphenyl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635354
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
CID 82314748
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571892
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (CID 116905986) is 1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is COc1ccc(OC)c(C(CNC(C)C)N(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is PWNQRQSVBGVXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(2)16-10-14(17(3)4)13-9-12(18-5)7-8-15(13)19-6/h7-9,11,14,16H,10H2,1-6H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116905986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).