N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine

C16H20BrN3O — CID 65171964

IUPACN-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Cn2c(CNC3CC3)cnc2C)cc1Br
InChIInChI=1S/C16H20BrN3O/c1-11-18-8-14(9-19-13-4-5-13)20(11)10-12-3-6-16(21-2)15(17)7-12/h3,6-8,13,19H,4-5,9-10H2,1-2H3
InChIKeyXIVQODQQAADNSC-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.26
Rot. Bonds6

About N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine

N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine (PubChem CID 65171964) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
PubChem CID65171964
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(Cn2c(CNC3CC3)cnc2C)cc1Br
InChIInChI=1S/C16H20BrN3O/c1-11-18-8-14(9-19-13-4-5-13)20(11)10-12-3-6-16(21-2)15(17)7-12/h3,6-8,13,19H,4-5,9-10H2,1-2H3
InChIKeyXIVQODQQAADNSC-UHFFFAOYSA-N
XLogP3.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171963
N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172224
N-[[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172121
N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 103050367
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
N-[[1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62580190
N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64743158
N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171718
N-[[3-(3,3-dimethylbutyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171713
1-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropiperidine
CID 63389605
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762
N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016605

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine (CID 65171964) is N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine is COc1ccc(Cn2c(CNC3CC3)cnc2C)cc1Br.
What is the InChIKey of N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is XIVQODQQAADNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-11-18-8-14(9-19-13-4-5-13)20(11)10-12-3-6-16(21-2)15(17)7-12/h3,6-8,13,19H,4-5,9-10H2,1-2H3.
What are the key properties of N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine?
N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 350.26 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65171964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).