N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine

C12H16BrNO — CID 62397707

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCOc1ccc(CNC2CC2C)cc1Br
InChIInChI=1S/C12H16BrNO/c1-8-5-11(8)14-7-9-3-4-12(15-2)10(13)6-9/h3-4,6,8,11,14H,5,7H2,1-2H3
InChIKeyDTZCGGQWYNGDEE-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.96
Rot. Bonds4

About N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine

N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 62397707) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
PubChem CID62397707
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCOc1ccc(CNC2CC2C)cc1Br
InChIInChI=1S/C12H16BrNO/c1-8-5-11(8)14-7-9-3-4-12(15-2)10(13)6-9/h3-4,6,8,11,14H,5,7H2,1-2H3
InChIKeyDTZCGGQWYNGDEE-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-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397492
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397106
N-[(3,4-dimethoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774950
N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64743158
1-(3-bromo-4-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261861
2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline
CID 62408815
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
CID 107342348
2-[(3-bromo-4-methoxyphenyl)methylamino]-2-cyclopropylpropan-1-ol
CID 111977072
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine (CID 62397707) is N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine is COc1ccc(CNC2CC2C)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is DTZCGGQWYNGDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-5-11(8)14-7-9-3-4-12(15-2)10(13)6-9/h3-4,6,8,11,14H,5,7H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine?
N-[(3-bromo-4-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-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 62397707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).