1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine

C12H16BrN — CID 79333871

IUPAC1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1(N)Cc1ccccc1Br
InChIInChI=1S/C12H16BrN/c1-2-10-8-12(10,14)7-9-5-3-4-6-11(9)13/h3-6,10H,2,7-8,14H2,1H3
InChIKeyGFNKOEXFGVZHLI-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.12
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine

1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine (PubChem CID 79333871) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine
PubChem CID79333871
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1(N)Cc1ccccc1Br
InChIInChI=1S/C12H16BrN/c1-2-10-8-12(10,14)7-9-5-3-4-6-11(9)13/h3-6,10H,2,7-8,14H2,1H3
InChIKeyGFNKOEXFGVZHLI-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-bromophenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513879
3-[(2-bromophenyl)methyl]-2-methyloxolan-3-amine
CID 114535509
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 60799064
1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733966
1-[(2-bromophenyl)methyl]cyclooctan-1-amine
CID 80603079
6-[(2-bromophenyl)methyl]bicyclo[3.1.0]hexan-6-amine
CID 79330967
1-[(2-bromophenyl)methyl]-4-propylcycloheptan-1-amine
CID 65086943
1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080509
1-[(2-bromophenyl)methyl]-3-ethoxycyclobutan-1-ol
CID 106823344
2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 79333753
trans-(1R,2R)-2-(2-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 90197933
2-[(2-bromophenyl)methyl]-2-ethylpiperidine
CID 115058886

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine (CID 79333871) is 1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine is CCC1CC1(N)Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine?
The InChIKey is GFNKOEXFGVZHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-2-10-8-12(10,14)7-9-5-3-4-6-11(9)13/h3-6,10H,2,7-8,14H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine?
1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-2-ethylcyclopropan-1-amine is sourced from PubChem (CID 79333871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).