1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine

C14H17Cl2N3 — CID 65230515

IUPAC1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1cnc[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-2-14(12-4-3-10(15)7-13(12)16)18-6-5-11-8-17-9-19-11/h3-4,7-9,14,18H,2,5-6H2,1H3,(H,17,19)
InChIKeyZCHNGYBMUWNXMH-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.00
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine

1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine (PubChem CID 65230515) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
PubChem CID65230515
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1cnc[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-2-14(12-4-3-10(15)7-13(12)16)18-6-5-11-8-17-9-19-11/h3-4,7-9,14,18H,2,5-6H2,1H3,(H,17,19)
InChIKeyZCHNGYBMUWNXMH-UHFFFAOYSA-N
XLogP4.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230546
1-(2-chloro-4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232432
1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
CID 62040459
1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
CID 65230792
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 63454562
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 63454306
1-(2,4-dichlorophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63827650
3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide
CID 60926174
1-(2,4-dichlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-1-amine
CID 107094120
1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 62996327
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine (CID 65230515) is 1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine is CCC(NCCc1cnc[nH]1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine?
The InChIKey is ZCHNGYBMUWNXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-2-14(12-4-3-10(15)7-13(12)16)18-6-5-11-8-17-9-19-11/h3-4,7-9,14,18H,2,5-6H2,1H3,(H,17,19).
What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine?
1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65230515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).