3-(4-bromophenyl)-N-methylbut-3-en-1-amine

C11H14BrN — CID 117269138

IUPAC3-(4-bromophenyl)-N-methylbut-3-en-1-amine
SMILESC=C(CCNC)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrN/c1-9(7-8-13-2)10-3-5-11(12)6-4-10/h3-6,13H,1,7-8H2,2H3
InChIKeyPAOQVUJKLCTXNR-UHFFFAOYSA-N
MW240.14 g/mol
LogP3.07
Rot. Bonds4

About 3-(4-bromophenyl)-N-methylbut-3-en-1-amine

3-(4-bromophenyl)-N-methylbut-3-en-1-amine (PubChem CID 117269138) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-methylbut-3-en-1-amine
PubChem CID117269138
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name3-(4-bromophenyl)-N-methylbut-3-en-1-amine
SMILESC=C(CCNC)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrN/c1-9(7-8-13-2)10-3-5-11(12)6-4-10/h3-6,13H,1,7-8H2,2H3
InChIKeyPAOQVUJKLCTXNR-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)prop-2-enyl-trimethylazanium
CID 14174230
3-(3-chlorophenyl)-N-methylbut-3-en-1-amine
CID 117269039
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1-(4-bromophenyl)-3-methylbut-3-en-1-one
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N-[1-(4-bromophenyl)-3-phenylbut-3-enylidene]hydroxylamine
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N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide
CID 115153366
1-[2-(4-bromophenyl)prop-2-enyl]piperidine
CID 53360982
4-bromo-N-methylbenzenecarbothioamide
CID 71424085
1-bromo-4-methylbenzene;2-(4-methylphenyl)prop-2-en-1-ol;prop-2-yn-1-ol
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3-(4-bromophenyl)sulfinyl-N-methylpropan-1-amine
CID 64652409
1-bromo-4-[3-[2-(2-methylphenyl)phenyl]prop-1-en-2-yl]benzene
CID 167179403
1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
CID 6376326

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-methylbut-3-en-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-methylbut-3-en-1-amine (CID 117269138) is 3-(4-bromophenyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-methylbut-3-en-1-amine is C=C(CCNC)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-methylbut-3-en-1-amine?
The InChIKey is PAOQVUJKLCTXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-9(7-8-13-2)10-3-5-11(12)6-4-10/h3-6,13H,1,7-8H2,2H3.
What are the key properties of 3-(4-bromophenyl)-N-methylbut-3-en-1-amine?
3-(4-bromophenyl)-N-methylbut-3-en-1-amine has a molecular weight of 240.14 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 117269138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).