3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine

C16H16BrN — CID 72637304

IUPAC3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine
SMILESCNCC=C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrN/c1-18-12-11-16(13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-11,18H,12H2,1H3
InChIKeyZRJXCBWDDPSRGS-UHFFFAOYSA-N
MW302.22 g/mol
LogP4.10
Rot. Bonds4

About 3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine

3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine (PubChem CID 72637304) has the molecular formula C16H16BrN and a molecular weight of 302.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine
PubChem CID72637304
Molecular FormulaC16H16BrN
Molecular Weight302.22 g/mol
Exact Mass301.05
IUPAC Name3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine
SMILESCNCC=C(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrN/c1-18-12-11-16(13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-11,18H,12H2,1H3
InChIKeyZRJXCBWDDPSRGS-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine (CID 72637304) is 3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine is CNCC=C(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is ZRJXCBWDDPSRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN/c1-18-12-11-16(13-5-3-2-4-6-13)14-7-9-15(17)10-8-14/h2-11,18H,12H2,1H3.
What are the key properties of 3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine?
3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine has a molecular weight of 302.22 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 72637304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).