N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine

C13H16BrN3O — CID 106573915

IUPACN-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine
SMILESCOc1ccc(Nc2nccn2C(C)C)cc1Br
InChIInChI=1S/C13H16BrN3O/c1-9(2)17-7-6-15-13(17)16-10-4-5-12(18-3)11(14)8-10/h4-9H,1-3H3,(H,15,16)
InChIKeyCRLDSBNQRMQEOP-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.98
Rot. Bonds4

About N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine

N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106573915) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106573915
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC NameN-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine
SMILESCOc1ccc(Nc2nccn2C(C)C)cc1Br
InChIInChI=1S/C13H16BrN3O/c1-9(2)17-7-6-15-13(17)16-10-4-5-12(18-3)11(14)8-10/h4-9H,1-3H3,(H,15,16)
InChIKeyCRLDSBNQRMQEOP-UHFFFAOYSA-N
XLogP3.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-1-methylimidazol-2-amine
CID 106573944
N-(3,4-dimethylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106560254
N-(3-bromo-4-methoxyphenyl)-1-cyclohexylimidazol-2-amine
CID 106573937
N-(4-bromo-3-methoxyphenyl)-1-methylimidazol-2-amine
CID 106579210
N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine
CID 106573908
N-(4-ethoxyphenyl)-1-propan-2-ylimidazol-2-amine
CID 106555751
N-(4-ethyl-3-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 114250857
3-bromo-4-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613235
N-(4-chloro-2-methoxy-5-methylphenyl)-1-propan-2-ylimidazol-2-amine
CID 106556110
5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
CID 113424113
4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005307
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine (CID 106573915) is N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine is COc1ccc(Nc2nccn2C(C)C)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is CRLDSBNQRMQEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-9(2)17-7-6-15-13(17)16-10-4-5-12(18-3)11(14)8-10/h4-9H,1-3H3,(H,15,16).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine?
N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 310.20 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106573915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).