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

C15H20BrN3 — CID 66147784

IUPACN-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1Cc1cccc(Br)c1
InChIInChI=1S/C15H20BrN3/c1-15(2,3)18-9-14-8-17-11-19(14)10-12-5-4-6-13(16)7-12/h4-8,11,18H,9-10H2,1-3H3
InChIKeyDKXMJEAAAQZQOD-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.58
Rot. Bonds4

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

N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66147784) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66147784
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1Cc1cccc(Br)c1
InChIInChI=1S/C15H20BrN3/c1-15(2,3)18-9-14-8-17-11-19(14)10-12-5-4-6-13(16)7-12/h4-8,11,18H,9-10H2,1-3H3
InChIKeyDKXMJEAAAQZQOD-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62732126
N-[[3-[(4-bromothiophen-2-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66150379
2-methyl-N-[[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447009
N-[[3-[1-(3-bromophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66149676
(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942801
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66146500
1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969656
N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66145704
2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62446622
2-methyl-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150721
N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66148632
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66147784) is N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cncn1Cc1cccc(Br)c1.
What is the InChIKey of N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DKXMJEAAAQZQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-15(2,3)18-9-14-8-17-11-19(14)10-12-5-4-6-13(16)7-12/h4-8,11,18H,9-10H2,1-3H3.
What are the key properties of N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66147784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).