1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine

C13H18BrNO — CID 60907565

IUPAC1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine
SMILESC=C(Br)COc1ccc(CC(N)CC)cc1
InChIInChI=1S/C13H18BrNO/c1-3-12(15)8-11-4-6-13(7-5-11)16-9-10(2)14/h4-7,12H,2-3,8-9,15H2,1H3
InChIKeyMSEGWGLGNBHNKJ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.25
Rot. Bonds6

About 1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine

1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine (PubChem CID 60907565) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine
PubChem CID60907565
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine
SMILESC=C(Br)COc1ccc(CC(N)CC)cc1
InChIInChI=1S/C13H18BrNO/c1-3-12(15)8-11-4-6-13(7-5-11)16-9-10(2)14/h4-7,12H,2-3,8-9,15H2,1H3
InChIKeyMSEGWGLGNBHNKJ-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
1-[3-(2-bromoprop-2-enoxy)-4-methoxyphenyl]butan-2-amine
CID 54929465
2-[4-(2-aminobutyl)phenoxy]-N,N-dimethylacetamide
CID 54930931
1-[4-(2-bromoprop-2-enoxy)-3,5-dimethoxyphenyl]butan-2-amine
CID 60907286
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
1-[2-(2-bromoprop-2-enoxy)-4-propoxyphenyl]butan-2-amine
CID 60906344
1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60907948
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
CID 61485616
N-[[4-(2-bromoprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60878379
1-[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]butan-2-amine
CID 113277161
1-[4-[(5-bromothiophen-2-yl)methoxy]phenyl]butan-2-amine
CID 54930396

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine (CID 60907565) is 1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine is C=C(Br)COc1ccc(CC(N)CC)cc1.
What is the InChIKey of 1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine?
The InChIKey is MSEGWGLGNBHNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-12(15)8-11-4-6-13(7-5-11)16-9-10(2)14/h4-7,12H,2-3,8-9,15H2,1H3.
What are the key properties of 1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine?
1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine has a molecular weight of 284.20 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromoprop-2-enoxy)phenyl]butan-2-amine is sourced from PubChem (CID 60907565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).