3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline

C14H19N3O2 — CID 61492962

IUPAC3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
SMILESCOc1cc(NCCn2ccnc2C)cc(OC)c1
InChIInChI=1S/C14H19N3O2/c1-11-15-4-6-17(11)7-5-16-12-8-13(18-2)10-14(9-12)19-3/h4,6,8-10,16H,5,7H2,1-3H3
InChIKeyXUUCUHHBEQZNLK-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.32
Rot. Bonds6

About 3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline

3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline (PubChem CID 61492962) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
PubChem CID61492962
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
SMILESCOc1cc(NCCn2ccnc2C)cc(OC)c1
InChIInChI=1S/C14H19N3O2/c1-11-15-4-6-17(11)7-5-16-12-8-13(18-2)10-14(9-12)19-3/h4,6,8-10,16H,5,7H2,1-3H3
InChIKeyXUUCUHHBEQZNLK-UHFFFAOYSA-N
XLogP2.32
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Disubstituted Pyrimidine 2h
CID 5329421
1-(3,5-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 6539192
1-(2,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
CID 6539193
1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]urea
CID 6539194
1-(3-(1H-Imidazol-1-yl)propyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 6539195
1-(3,4-Dimethoxyphenyl)-3-[3-(1h-Imidazol-1-Yl)propyl]thiourea
CID 6539196
1-(3,4-dimethoxyphenyl)-3-[4-(1H-imidazol-1-yl)butyl]thiourea
CID 6539198
Thioamide deriv. 85
CID 6539216
N-(3-imidazol-1-ylpropyl)-N'-(3-methoxyphenyl)oxamide
CID 2914863
1-[3-(1H-imidazol-1-yl)propyl]-3-(3-methoxyphenyl)thiourea
CID 2910461
N-(2,5-dimethoxyphenyl)-3-(1H-imidazol-1-yl)propanamide
CID 24761548
N-(2,4-dimethoxyphenyl)-3-(1H-imidazol-1-yl)propanamide
CID 24761553

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
The IUPAC name of 3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline (CID 61492962) is 3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
The canonical SMILES for 3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline is COc1cc(NCCn2ccnc2C)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
The InChIKey is XUUCUHHBEQZNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11-15-4-6-17(11)7-5-16-12-8-13(18-2)10-14(9-12)19-3/h4,6,8-10,16H,5,7H2,1-3H3.
What are the key properties of 3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline has a molecular weight of 261.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline is sourced from PubChem (CID 61492962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).