[3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine

C12H16BrN — CID 82381661

IUPAC[3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)C(CN)C1c1cccc(Br)c1
InChIInChI=1S/C12H16BrN/c1-12(2)10(7-14)11(12)8-4-3-5-9(13)6-8/h3-6,10-11H,7,14H2,1-2H3
InChIKeyFKOMLLSMJVUGKP-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.15
Rot. Bonds2

About [3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine

[3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 82381661) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is [3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID82381661
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name[3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)C(CN)C1c1cccc(Br)c1
InChIInChI=1S/C12H16BrN/c1-12(2)10(7-14)11(12)8-4-3-5-9(13)6-8/h3-6,10-11H,7,14H2,1-2H3
InChIKeyFKOMLLSMJVUGKP-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine (CID 82381661) is [3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine is CC1(C)C(CN)C1c1cccc(Br)c1.
What is the InChIKey of [3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is FKOMLLSMJVUGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-12(2)10(7-14)11(12)8-4-3-5-9(13)6-8/h3-6,10-11H,7,14H2,1-2H3.
What are the key properties of [3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine?
[3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 254.17 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-bromophenyl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 82381661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).