1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine

C12H16BrN — CID 107915510

IUPAC1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine
SMILESCCC1CC1(N)c1ccc(C)c(Br)c1
InChIInChI=1S/C12H16BrN/c1-3-9-7-12(9,14)10-5-4-8(2)11(13)6-10/h4-6,9H,3,7,14H2,1-2H3
InChIKeyFSZCFUFUINODCF-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.34
Rot. Bonds2

About 1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine

1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine (PubChem CID 107915510) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine
PubChem CID107915510
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine
SMILESCCC1CC1(N)c1ccc(C)c(Br)c1
InChIInChI=1S/C12H16BrN/c1-3-9-7-12(9,14)10-5-4-8(2)11(13)6-10/h4-6,9H,3,7,14H2,1-2H3
InChIKeyFSZCFUFUINODCF-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-2-ethylcyclopropan-1-amine
CID 107281655
1-(3-bromo-4-methylphenyl)-2-propylcyclopropan-1-ol
CID 81488604
1-[(3-bromo-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117352424
2-ethyl-1-(6-methyl-2-pyridinyl)cyclopropan-1-amine
CID 79332116
2-(1-amino-2-ethylcyclopropyl)phenol
CID 84656088
3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline
CID 63462471
1-(4-bromo-3-fluorophenyl)-2-ethylcyclopropan-1-ol
CID 79333273
1-(4-methylsulfanylphenyl)-2-propylcyclopropan-1-amine
CID 106849725
1-(4-bromo-3,5-dimethylphenyl)-2-methylcyclopropan-1-amine
CID 114331069
2-ethyl-1-(6-methoxypyridazin-3-yl)cyclopropan-1-amine
CID 103375157
2-ethyl-1-(5-fluoro-2-pyridinyl)cyclopropan-1-amine
CID 79718780
2-bromo-4-[(1R,2R,3Z)-3-(bromomethylidene)-1,2-dimethylcyclopentyl]-1-methylbenzene
CID 163112877

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine (CID 107915510) is 1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine is CCC1CC1(N)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine?
The InChIKey is FSZCFUFUINODCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-3-9-7-12(9,14)10-5-4-8(2)11(13)6-10/h4-6,9H,3,7,14H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine?
1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-ethylcyclopropan-1-amine is sourced from PubChem (CID 107915510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).