N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine

C13H18BrN — CID 115717128

IUPACN-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine
SMILESC=C(Br)CNC(CCC)c1ccccc1
InChIInChI=1S/C13H18BrN/c1-3-7-13(15-10-11(2)14)12-8-5-4-6-9-12/h4-6,8-9,13,15H,2-3,7,10H2,1H3
InChIKeyGESXSXFUMXIIRB-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.03
Rot. Bonds6

About N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine

N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine (PubChem CID 115717128) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine
PubChem CID115717128
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC NameN-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine
SMILESC=C(Br)CNC(CCC)c1ccccc1
InChIInChI=1S/C13H18BrN/c1-3-7-13(15-10-11(2)14)12-8-5-4-6-9-12/h4-6,8-9,13,15H,2-3,7,10H2,1H3
InChIKeyGESXSXFUMXIIRB-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol
CID 86786798
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine
CID 115745130
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
2-methyl-1-(1-phenylbutylamino)butan-2-ol
CID 65107747
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol
CID 81412987
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
N-[(3-methylfuran-2-yl)methyl]-1-phenylbutan-1-amine
CID 115651539
1-phenylbutylurea
CID 2852079

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine (CID 115717128) is N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine is C=C(Br)CNC(CCC)c1ccccc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine?
The InChIKey is GESXSXFUMXIIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-3-7-13(15-10-11(2)14)12-8-5-4-6-9-12/h4-6,8-9,13,15H,2-3,7,10H2,1H3.
What are the key properties of N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine?
N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine has a molecular weight of 268.20 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 115717128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).