N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine

C14H18BrN3 — CID 82968272

IUPACN-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Br)ccc1-n1ccnc1
InChIInChI=1S/C14H18BrN3/c1-3-6-17-11(2)13-9-12(15)4-5-14(13)18-8-7-16-10-18/h4-5,7-11,17H,3,6H2,1-2H3
InChIKeyNOXSYOXPYRQQGS-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.70
Rot. Bonds5

About N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine

N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine (PubChem CID 82968272) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine
PubChem CID82968272
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC NameN-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Br)ccc1-n1ccnc1
InChIInChI=1S/C14H18BrN3/c1-3-6-17-11(2)13-9-12(15)4-5-14(13)18-8-7-16-10-18/h4-5,7-11,17H,3,6H2,1-2H3
InChIKeyNOXSYOXPYRQQGS-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43284758
4-bromo-N-ethyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 82971405
N-[1-[5-bromo-2-(2,6-dimethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 82954401
1-(4-bromo-2-methylphenyl)imidazole
CID 70332968
N-[1-[5-bromo-2-(3-methylpyrrolidin-1-yl)phenyl]ethyl]propan-1-amine
CID 82971808
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82968056
1-[4-bromo-2-[1-(propylamino)ethyl]phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 82955648
N-[1-[5-bromo-2-(2-methylazepan-1-yl)phenyl]ethyl]propan-1-amine
CID 82955061
5-bromo-2-[1-(propylamino)ethyl]phenol
CID 82976016
N-[1-[5-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]ethyl]propan-1-amine
CID 103534460
N-[1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 82956373
4-bromo-N-methyl-N-(2-methylpropyl)-2-[1-(propylamino)ethyl]aniline
CID 82971713

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine (CID 82968272) is N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine is CCCNC(C)c1cc(Br)ccc1-n1ccnc1.
What is the InChIKey of N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine?
The InChIKey is NOXSYOXPYRQQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-3-6-17-11(2)13-9-12(15)4-5-14(13)18-8-7-16-10-18/h4-5,7-11,17H,3,6H2,1-2H3.
What are the key properties of N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine?
N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 82968272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).