2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine

C13H17Br2NO — CID 115614925

IUPAC2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1cc(Br)ccc1OCCC
InChIInChI=1S/C13H17Br2NO/c1-3-6-17-13-5-4-12(15)7-11(13)9-16-8-10(2)14/h4-5,7,16H,2-3,6,8-9H2,1H3
InChIKeyCWGSTEJLSBRHFP-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.24
Rot. Bonds7

About 2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine

2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine (PubChem CID 115614925) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine
PubChem CID115614925
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine
SMILESC=C(Br)CNCc1cc(Br)ccc1OCCC
InChIInChI=1S/C13H17Br2NO/c1-3-6-17-13-5-4-12(15)7-11(13)9-16-8-10(2)14/h4-5,7,16H,2-3,6,8-9H2,1H3
InChIKeyCWGSTEJLSBRHFP-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]prop-2-en-1-amine
CID 113232314
N-[(5-bromo-2-propoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114465957
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
2-[[(5-bromo-2-propoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64929093
N-[(5-bromo-2-propoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 78910425
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29224737
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[(5-bromo-2-butoxyphenyl)methyl]propan-1-amine
CID 43277546
N-[(5-bromo-2-propoxyphenyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427185
N-[[5-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449718
2-[(5-bromo-2-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312603
1-(5-bromo-2-propoxyphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884481

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine (CID 115614925) is 2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine is C=C(Br)CNCc1cc(Br)ccc1OCCC.
What is the InChIKey of 2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine?
The InChIKey is CWGSTEJLSBRHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-3-6-17-13-5-4-12(15)7-11(13)9-16-8-10(2)14/h4-5,7,16H,2-3,6,8-9H2,1H3.
What are the key properties of 2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine?
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine has a molecular weight of 363.09 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 115614925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).