1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine

C12H16BrN — CID 83729543

IUPAC1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Br)cc2)CC1C
InChIInChI=1S/C12H16BrN/c1-9-7-12(9,8-14-2)10-3-5-11(13)6-4-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyHEFNWUKDADWOSY-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.95
Rot. Bonds3

About 1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine

1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine (PubChem CID 83729543) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine
PubChem CID83729543
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2ccc(Br)cc2)CC1C
InChIInChI=1S/C12H16BrN/c1-9-7-12(9,8-14-2)10-3-5-11(13)6-4-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyHEFNWUKDADWOSY-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine (CID 83729543) is 1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine is CNCC1(c2ccc(Br)cc2)CC1C.
What is the InChIKey of 1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine?
The InChIKey is HEFNWUKDADWOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-9-7-12(9,8-14-2)10-3-5-11(13)6-4-10/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine?
1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine has a molecular weight of 254.17 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 83729543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).