2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine

C15H20ClN3 — CID 63968122

IUPAC2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1nccn1CC
InChIInChI=1S/C15H20ClN3/c1-3-17-14(15-18-8-9-19(15)4-2)11-12-6-5-7-13(16)10-12/h5-10,14,17H,3-4,11H2,1-2H3
InChIKeyUVCYTLDTHVUUTR-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.45
Rot. Bonds6

About 2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine

2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine (PubChem CID 63968122) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine
PubChem CID63968122
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine
SMILESCCNC(Cc1cccc(Cl)c1)c1nccn1CC
InChIInChI=1S/C15H20ClN3/c1-3-17-14(15-18-8-9-19(15)4-2)11-12-6-5-7-13(16)10-12/h5-10,14,17H,3-4,11H2,1-2H3
InChIKeyUVCYTLDTHVUUTR-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-ethylimidazol-2-yl)-2-(3-fluorophenyl)ethyl]propan-1-amine
CID 63970008
1-(3-chlorophenyl)-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79751530
N-ethyl-1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanamine
CID 63968337
N-ethyl-1-(1-methylimidazol-2-yl)-2-(3-methylphenyl)ethanamine
CID 63976652
2-(3-chlorophenyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 63412584
1-(1-ethylimidazol-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 63970848
2-(3-chlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503819
1-(2-bromophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 63414830
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-amine
CID 63967928
N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 63968753
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 105394689
2-(3-chlorophenyl)-N-ethyl-1-(4-propylphenyl)ethanamine
CID 63412084

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine (CID 63968122) is 2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine is CCNC(Cc1cccc(Cl)c1)c1nccn1CC.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine?
The InChIKey is UVCYTLDTHVUUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-17-14(15-18-8-9-19(15)4-2)11-12-6-5-7-13(16)10-12/h5-10,14,17H,3-4,11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine?
2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine has a molecular weight of 277.80 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-1-(1-ethylimidazol-2-yl)ethanamine is sourced from PubChem (CID 63968122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).