N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine

C13H18BrN — CID 115745130

IUPACN-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine
SMILESC=C(Br)CNC(c1ccccc1)C(C)C
InChIInChI=1S/C13H18BrN/c1-10(2)13(15-9-11(3)14)12-7-5-4-6-8-12/h4-8,10,13,15H,3,9H2,1-2H3
InChIKeyJFDQKAPLGRTBRM-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.88
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine

N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine (PubChem CID 115745130) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine
PubChem CID115745130
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC NameN-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine
SMILESC=C(Br)CNC(c1ccccc1)C(C)C
InChIInChI=1S/C13H18BrN/c1-10(2)13(15-9-11(3)14)12-7-5-4-6-8-12/h4-8,10,13,15H,3,9H2,1-2H3
InChIKeyJFDQKAPLGRTBRM-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol
CID 86786798
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine
CID 115717128
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine
CID 103605764
N'-acetyl-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetohydrazide
CID 9132759
2-[(2-methyl-1-phenylpropyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 86909139
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine (CID 115745130) is N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine is C=C(Br)CNC(c1ccccc1)C(C)C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine?
The InChIKey is JFDQKAPLGRTBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10(2)13(15-9-11(3)14)12-7-5-4-6-8-12/h4-8,10,13,15H,3,9H2,1-2H3.
What are the key properties of N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine?
N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine has a molecular weight of 268.20 g/mol, XLogP of 3.88, 5 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)-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 115745130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).