N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride

C16H24Cl3N3 — CID 19429502

IUPACN-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride
SMILESCC(C)c1nccn1CCCNCc1ccc(Cl)cc1.Cl.Cl
InChIInChI=1S/C16H22ClN3.2ClH/c1-13(2)16-19-9-11-20(16)10-3-8-18-12-14-4-6-15(17)7-5-14;;/h4-7,9,11,13,18H,3,8,10,12H2,1-2H3;2*1H
InChIKeyRGWAKWAGXRBCAC-UHFFFAOYSA-N
MW364.75 g/mol
LogP4.68
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride

N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride (PubChem CID 19429502) has the molecular formula C16H24Cl3N3 and a molecular weight of 364.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride
PubChem CID19429502
Molecular FormulaC16H24Cl3N3
Molecular Weight364.75 g/mol
Exact Mass363.10
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride
SMILESCC(C)c1nccn1CCCNCc1ccc(Cl)cc1.Cl.Cl
InChIInChI=1S/C16H22ClN3.2ClH/c1-13(2)16-19-9-11-20(16)10-3-8-18-12-14-4-6-15(17)7-5-14;;/h4-7,9,11,13,18H,3,8,10,12H2,1-2H3;2*1H
InChIKeyRGWAKWAGXRBCAC-UHFFFAOYSA-N
XLogP4.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.75
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(2-methylimidazol-1-yl)propan-1-amine
CID 19429371
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol
CID 155289364
N-[(4-chlorophenyl)methyl]-3-(4,5-dimethylimidazol-1-yl)propan-1-amine
CID 19429433
3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrobromide
CID 17139034
1-(5-chloropentyl)-2-propan-2-ylimidazole
CID 43168520
1-butyl-2-propan-2-ylimidazole
CID 11506521
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
3-[[3-(2-propan-2-ylimidazol-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 131903035
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 131936000
1-(3-ethylsulfonylpropyl)-2-propan-2-ylimidazole
CID 65097353
2-(4-chlorophenyl)-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064912

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride (CID 19429502) is N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride is CC(C)c1nccn1CCCNCc1ccc(Cl)cc1.Cl.Cl.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride?
The InChIKey is RGWAKWAGXRBCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3.2ClH/c1-13(2)16-19-9-11-20(16)10-3-8-18-12-14-4-6-15(17)7-5-14;;/h4-7,9,11,13,18H,3,8,10,12H2,1-2H3;2*1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride?
N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride has a molecular weight of 364.75 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 19429502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).