N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine

C12H16BrNO — CID 62397106

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCOc1ccc(Br)cc1CNC1CC1C
InChIInChI=1S/C12H16BrNO/c1-8-5-11(8)14-7-9-6-10(13)3-4-12(9)15-2/h3-4,6,8,11,14H,5,7H2,1-2H3
InChIKeyCAZSNUOFSVPROH-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.96
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 62397106) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
PubChem CID62397106
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCOc1ccc(Br)cc1CNC1CC1C
InChIInChI=1S/C12H16BrNO/c1-8-5-11(8)14-7-9-6-10(13)3-4-12(9)15-2/h3-4,6,8,11,14H,5,7H2,1-2H3
InChIKeyCAZSNUOFSVPROH-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115615486
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710191
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179240
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397707
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 43088568
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819
1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224255
(3S)-3-[(5-bromo-2-methoxyphenyl)methylamino]azepan-2-one
CID 93263397
3-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-2-one
CID 62094837

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine (CID 62397106) is N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine is COc1ccc(Br)cc1CNC1CC1C.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is CAZSNUOFSVPROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-5-11(8)14-7-9-6-10(13)3-4-12(9)15-2/h3-4,6,8,11,14H,5,7H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 270.17 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 62397106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).