N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine

C15H20BrN3 — CID 63977288

IUPACN-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1nccn1C
InChIInChI=1S/C15H20BrN3/c1-3-8-17-14(15-18-9-10-19(15)2)11-12-4-6-13(16)7-5-12/h4-7,9-10,14,17H,3,8,11H2,1-2H3
InChIKeyFCKIVGLIUFWQFS-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine

N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 63977288) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID63977288
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1nccn1C
InChIInChI=1S/C15H20BrN3/c1-3-8-17-14(15-18-9-10-19(15)2)11-12-4-6-13(16)7-5-12/h4-7,9-10,14,17H,3,8,11H2,1-2H3
InChIKeyFCKIVGLIUFWQFS-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974744
N-[2-(5-bromo-3-pyridinyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 104803654
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63975598
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-[2-(4-fluorophenyl)-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 63970416
N-ethyl-2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63974743
N-[2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 66161600
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541
N-[2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974962
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine (CID 63977288) is N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1)c1nccn1C.
What is the InChIKey of N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is FCKIVGLIUFWQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-3-8-17-14(15-18-9-10-19(15)2)11-12-4-6-13(16)7-5-12/h4-7,9-10,14,17H,3,8,11H2,1-2H3.
What are the key properties of N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63977288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).