[2-(3-bromophenyl)azetidin-2-yl]methanamine

C10H13BrN2 — CID 115059263

IUPAC[2-(3-bromophenyl)azetidin-2-yl]methanamine
SMILESNCC1(c2cccc(Br)c2)CCN1
InChIInChI=1S/C10H13BrN2/c11-9-3-1-2-8(6-9)10(7-12)4-5-13-10/h1-3,6,13H,4-5,7,12H2
InChIKeyCVCFUVDCUHYJCR-UHFFFAOYSA-N
MW241.13 g/mol
LogP1.60
Rot. Bonds2

About [2-(3-bromophenyl)azetidin-2-yl]methanamine

[2-(3-bromophenyl)azetidin-2-yl]methanamine (PubChem CID 115059263) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is [2-(3-bromophenyl)azetidin-2-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromophenyl)azetidin-2-yl]methanamine
PubChem CID115059263
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name[2-(3-bromophenyl)azetidin-2-yl]methanamine
SMILESNCC1(c2cccc(Br)c2)CCN1
InChIInChI=1S/C10H13BrN2/c11-9-3-1-2-8(6-9)10(7-12)4-5-13-10/h1-3,6,13H,4-5,7,12H2
InChIKeyCVCFUVDCUHYJCR-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-(3-bromophenyl)spiro[3.4]octan-2-yl]methanamine
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3-(aminomethyl)-3-(3-bromophenyl)cyclobutan-1-one
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3-(aminomethyl)-3-(3-bromophenyl)-1-methylcyclopentan-1-ol
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2-(2-phenylazetidin-2-yl)ethanamine
CID 115059318
1-bromo-3-[1-(methylsulfanylmethyl)cyclopropyl]benzene
CID 115047980
4-(3-bromophenyl)piperidine-4-carboxamide
CID 82307410
1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
CID 115047487
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CID 65017119
[1-(3-bromophenyl)-2-fluoro-3-methylcyclopropyl]methanamine
CID 163371263

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)azetidin-2-yl]methanamine?
The IUPAC name of [2-(3-bromophenyl)azetidin-2-yl]methanamine (CID 115059263) is [2-(3-bromophenyl)azetidin-2-yl]methanamine.
What is the SMILES notation for [2-(3-bromophenyl)azetidin-2-yl]methanamine?
The canonical SMILES for [2-(3-bromophenyl)azetidin-2-yl]methanamine is NCC1(c2cccc(Br)c2)CCN1.
What is the InChIKey of [2-(3-bromophenyl)azetidin-2-yl]methanamine?
The InChIKey is CVCFUVDCUHYJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-9-3-1-2-8(6-9)10(7-12)4-5-13-10/h1-3,6,13H,4-5,7,12H2.
What are the key properties of [2-(3-bromophenyl)azetidin-2-yl]methanamine?
[2-(3-bromophenyl)azetidin-2-yl]methanamine has a molecular weight of 241.13 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)azetidin-2-yl]methanamine is sourced from PubChem (CID 115059263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).