1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine

C12H17BrN2 — CID 84738643

IUPAC1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine
SMILESCN(C)C(c1ccccc1Br)C1(N)CC1
InChIInChI=1S/C12H17BrN2/c1-15(2)11(12(14)7-8-12)9-5-3-4-6-10(9)13/h3-6,11H,7-8,14H2,1-2H3
InChIKeyLXMMVCYQIWKIEW-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.54
Rot. Bonds3

About 1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine

1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine (PubChem CID 84738643) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine
PubChem CID84738643
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine
SMILESCN(C)C(c1ccccc1Br)C1(N)CC1
InChIInChI=1S/C12H17BrN2/c1-15(2)11(12(14)7-8-12)9-5-3-4-6-10(9)13/h3-6,11H,7-8,14H2,1-2H3
InChIKeyLXMMVCYQIWKIEW-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine (CID 84738643) is 1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine is CN(C)C(c1ccccc1Br)C1(N)CC1.
What is the InChIKey of 1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine?
The InChIKey is LXMMVCYQIWKIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-15(2)11(12(14)7-8-12)9-5-3-4-6-10(9)13/h3-6,11H,7-8,14H2,1-2H3.
What are the key properties of 1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine?
1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine has a molecular weight of 269.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine is sourced from PubChem (CID 84738643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).