2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine

C15H22BrN — CID 113464994

IUPAC2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine
SMILESC=C(Br)CNC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H22BrN/c1-11(2)9-14-5-7-15(8-6-14)13(4)17-10-12(3)16/h5-8,11,13,17H,3,9-10H2,1-2,4H3
InChIKeyAKPMHLKNYRKRFP-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.44
Rot. Bonds6

About 2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine

2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine (PubChem CID 113464994) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine
PubChem CID113464994
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine
SMILESC=C(Br)CNC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H22BrN/c1-11(2)9-14-5-7-15(8-6-14)13(4)17-10-12(3)16/h5-8,11,13,17H,3,9-10H2,1-2,4H3
InChIKeyAKPMHLKNYRKRFP-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(4-butylphenyl)ethyl]prop-2-en-1-amine
CID 113464993
2-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81348608
2-bromo-N-[1-(3,5-dimethylphenyl)ethyl]prop-2-en-1-amine
CID 115717133
2-bromo-N-[1-(4-nitrophenyl)ethyl]prop-2-en-1-amine
CID 115717297
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide
CID 43400934
2-bromo-N-[1-(4-fluoro-3,5-dimethylphenyl)ethyl]prop-2-en-1-amine
CID 115717337
N-cyclopropyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 43398065
3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol
CID 124596699
N-[(2-bromophenyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43221361
1-[4-(2-methylpropyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897141

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine (CID 113464994) is 2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine is C=C(Br)CNC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine?
The InChIKey is AKPMHLKNYRKRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-11(2)9-14-5-7-15(8-6-14)13(4)17-10-12(3)16/h5-8,11,13,17H,3,9-10H2,1-2,4H3.
What are the key properties of 2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine?
2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine has a molecular weight of 296.25 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-en-1-amine is sourced from PubChem (CID 113464994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).