1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine

C14H17Cl2N3 — CID 79751664

IUPAC1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine
SMILESCCn1ccnc1CC(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-2-19-6-5-18-14(19)9-12(17)7-10-3-4-11(15)8-13(10)16/h3-6,8,12H,2,7,9,17H2,1H3
InChIKeyUXKBUPRHQLKNMM-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.32
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine

1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine (PubChem CID 79751664) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine
PubChem CID79751664
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine
SMILESCCn1ccnc1CC(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-2-19-6-5-18-14(19)9-12(17)7-10-3-4-11(15)8-13(10)16/h3-6,8,12H,2,7,9,17H2,1H3
InChIKeyUXKBUPRHQLKNMM-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63977323
1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529939
1-(5-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 114885900
N-[2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 63968753
3-chloro-4-[(1-ethylimidazol-2-yl)methyl]aniline
CID 107615879
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
1-(2-chloro-6-fluorophenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009254
1-(1-ethylimidazol-2-yl)undecan-2-amine
CID 105009322
1-(4-chloro-2-fluorophenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79752703
1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 63412354
1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-amine
CID 79751475
[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 103445832

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine (CID 79751664) is 1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine is CCn1ccnc1CC(N)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine?
The InChIKey is UXKBUPRHQLKNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-2-19-6-5-18-14(19)9-12(17)7-10-3-4-11(15)8-13(10)16/h3-6,8,12H,2,7,9,17H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine?
1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine has a molecular weight of 298.22 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79751664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).