1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine

C14H17Cl2N3 — CID 114530092

IUPAC1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCn1ccnc1CCC(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2N3/c1-19-7-6-18-14(19)5-3-11(17)8-10-2-4-12(15)13(16)9-10/h2,4,6-7,9,11H,3,5,8,17H2,1H3
InChIKeyXXBCGULCUXWMOW-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.23
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine

1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 114530092) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID114530092
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
SMILESCn1ccnc1CCC(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2N3/c1-19-7-6-18-14(19)5-3-11(17)8-10-2-4-12(15)13(16)9-10/h2,4,6-7,9,11H,3,5,8,17H2,1H3
InChIKeyXXBCGULCUXWMOW-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine
CID 114530112
1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529939
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]ethanamine
CID 82783395
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103216419
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527468
1-(3-chloro-4-fluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103043410
N-[(3-bromo-4-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 83235355
N-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 81146312
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine (CID 114530092) is 1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine is Cn1ccnc1CCC(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is XXBCGULCUXWMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-19-7-6-18-14(19)5-3-11(17)8-10-2-4-12(15)13(16)9-10/h2,4,6-7,9,11H,3,5,8,17H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine?
1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 298.22 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 114530092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).