N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine

C14H18BrN3 — CID 66147990

IUPACN-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1Cc1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-11(2)17-8-13-7-16-10-18(13)9-12-5-3-4-6-14(12)15/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyYKTGNJOEGYFTQC-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.19
Rot. Bonds5

About N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine

N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66147990) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID66147990
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC NameN-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1Cc1ccccc1Br
InChIInChI=1S/C14H18BrN3/c1-11(2)17-8-13-7-16-10-18(13)9-12-5-3-4-6-14(12)15/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyYKTGNJOEGYFTQC-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151382
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66403749
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149748
N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149938
N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150573
4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide
CID 66147737
N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149306
N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine
CID 106294312
N-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149261

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 66147990) is N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1Cc1ccccc1Br.
What is the InChIKey of N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is YKTGNJOEGYFTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-11(2)17-8-13-7-16-10-18(13)9-12-5-3-4-6-14(12)15/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 308.22 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66147990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).