1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone

C15H20BrNO — CID 54999992

IUPAC1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(CC(=O)c1cccc(Br)c1)CC1CC1
InChIInChI=1S/C15H20BrNO/c1-11(2)17(9-12-6-7-12)10-15(18)13-4-3-5-14(16)8-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyMSAMEZKJAHBXDX-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.75
Rot. Bonds6

About 1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone

1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone (PubChem CID 54999992) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone
PubChem CID54999992
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(CC(=O)c1cccc(Br)c1)CC1CC1
InChIInChI=1S/C15H20BrNO/c1-11(2)17(9-12-6-7-12)10-15(18)13-4-3-5-14(16)8-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyMSAMEZKJAHBXDX-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
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CID 43227315
1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone (CID 54999992) is 1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone is CC(C)N(CC(=O)c1cccc(Br)c1)CC1CC1.
What is the InChIKey of 1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone?
The InChIKey is MSAMEZKJAHBXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11(2)17(9-12-6-7-12)10-15(18)13-4-3-5-14(16)8-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone?
1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone has a molecular weight of 310.23 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 54999992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).