1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine

C12H16BrNO — CID 83743390

IUPAC1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCOc1ccc(C2(N)CC2(C)C)cc1Br
InChIInChI=1S/C12H16BrNO/c1-11(2)7-12(11,14)8-4-5-10(15-3)9(13)6-8/h4-6H,7,14H2,1-3H3
InChIKeyVZVNHQZPSPTNKA-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.04
Rot. Bonds2

About 1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine

1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 83743390) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
PubChem CID83743390
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
SMILESCOc1ccc(C2(N)CC2(C)C)cc1Br
InChIInChI=1S/C12H16BrNO/c1-11(2)7-12(11,14)8-4-5-10(15-3)9(13)6-8/h4-6H,7,14H2,1-3H3
InChIKeyVZVNHQZPSPTNKA-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-propylcyclopropan-1-amine
CID 106951203
2-bromo-1-methoxy-4-[1-(methoxymethyl)cyclopropyl]benzene
CID 138473183
methyl 1-(3-bromo-4-methoxyphenyl)cyclobutane-1-carboxylate
CID 116963863
1-(4-bromo-3-methoxyphenyl)cyclopropan-1-amine
CID 84801514
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117498388
1-(3-bromo-4-methoxyphenyl)cyclohexane-1-carbohydrazide
CID 116844512
2-amino-2-[3-(3-bromo-4-methoxyphenyl)oxetan-3-yl]acetic acid
CID 116874326
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
3,3-dibromo-2-(3-bromo-4-methoxyphenyl)oxolane-2-carbonitrile
CID 13097775
2-(3-bromo-4-methoxyphenyl)-2-oxoacetamide
CID 116924423
1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine (CID 83743390) is 1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine is COc1ccc(C2(N)CC2(C)C)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is VZVNHQZPSPTNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-11(2)7-12(11,14)8-4-5-10(15-3)9(13)6-8/h4-6H,7,14H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine?
1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 270.17 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 83743390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).