N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine

C18H26N2O2S — CID 134001017

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCCc1nc(CN(CC)Cc2ccc(OC)c(OC)c2)cs1
InChIInChI=1S/C18H26N2O2S/c1-5-7-18-19-15(13-23-18)12-20(6-2)11-14-8-9-16(21-3)17(10-14)22-4/h8-10,13H,5-7,11-12H2,1-4H3
InChIKeyVKEDVVCJNSZIAH-UHFFFAOYSA-N
MW334.49 g/mol
LogP4.13
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine

N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 134001017) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID134001017
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCCc1nc(CN(CC)Cc2ccc(OC)c(OC)c2)cs1
InChIInChI=1S/C18H26N2O2S/c1-5-7-18-19-15(13-23-18)12-20(6-2)11-14-8-9-16(21-3)17(10-14)22-4/h8-10,13H,5-7,11-12H2,1-4H3
InChIKeyVKEDVVCJNSZIAH-UHFFFAOYSA-N
XLogP4.13
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 47014060
4-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 60863894
N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859057
1-(diethylamino)-3-[2-methoxy-5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 45169870
N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 54986542
3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
CID 61009223
N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine
CID 167837344
3-[2-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-4-yl]-N-hydroxypropanamide
CID 149016806
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
N-[(3,4-dimethoxyphenyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65270936
N-(2-bromoethyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 80680489
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 134001017) is N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine is CCCc1nc(CN(CC)Cc2ccc(OC)c(OC)c2)cs1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is VKEDVVCJNSZIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-5-7-18-19-15(13-23-18)12-20(6-2)11-14-8-9-16(21-3)17(10-14)22-4/h8-10,13H,5-7,11-12H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine?
N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 334.49 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 134001017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).