2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine

C14H19BrN2 — CID 116679583

IUPAC2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
SMILESCC(CN(C)Cc1ccccc1Br)=C1CNC1
InChIInChI=1S/C14H19BrN2/c1-11(13-7-16-8-13)9-17(2)10-12-5-3-4-6-14(12)15/h3-6,16H,7-10H2,1-2H3
InChIKeyZCSDGTIZWYYHFW-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.80
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine

2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine (PubChem CID 116679583) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
PubChem CID116679583
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
SMILESCC(CN(C)Cc1ccccc1Br)=C1CNC1
InChIInChI=1S/C14H19BrN2/c1-11(13-7-16-8-13)9-17(2)10-12-5-3-4-6-14(12)15/h3-6,16H,7-10H2,1-2H3
InChIKeyZCSDGTIZWYYHFW-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 62035947
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N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
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1-(2-bromophenyl)-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)methanamine
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N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N-[(2-bromophenyl)methyl]-N-methylazetidin-3-amine
CID 62784251
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
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N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol
CID 113353894
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CID 60646410

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine (CID 116679583) is 2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine is CC(CN(C)Cc1ccccc1Br)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is ZCSDGTIZWYYHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-11(13-7-16-8-13)9-17(2)10-12-5-3-4-6-14(12)15/h3-6,16H,7-10H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine?
2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 295.22 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 116679583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).