1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone

C14H18BrNO — CID 63865706

IUPAC1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
SMILESCC1CC1CN(C)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO/c1-10-7-12(10)8-16(2)9-14(17)11-3-5-13(15)6-4-11/h3-6,10,12H,7-9H2,1-2H3
InChIKeyVAOXQHQPNGKQEY-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.22
Rot. Bonds5

About 1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone

1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone (PubChem CID 63865706) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
PubChem CID63865706
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
SMILESCC1CC1CN(C)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO/c1-10-7-12(10)8-16(2)9-14(17)11-3-5-13(15)6-4-11/h3-6,10,12H,7-9H2,1-2H3
InChIKeyVAOXQHQPNGKQEY-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone (CID 63865706) is 1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone is CC1CC1CN(C)CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone?
The InChIKey is VAOXQHQPNGKQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-10-7-12(10)8-16(2)9-14(17)11-3-5-13(15)6-4-11/h3-6,10,12H,7-9H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone?
1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone has a molecular weight of 296.21 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone is sourced from PubChem (CID 63865706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).