2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine

C10H15BrN2 — CID 170868655

IUPAC2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine
SMILESNCCc1cccc(CCN)c1Br
InChIInChI=1S/C10H15BrN2/c11-10-8(4-6-12)2-1-3-9(10)5-7-13/h1-3H,4-7,12-13H2
InChIKeySGQOLMPQXBTMEM-UHFFFAOYSA-N
MW243.15 g/mol
LogP1.45
Rot. Bonds4

About 2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine

2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine (PubChem CID 170868655) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine
PubChem CID170868655
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine
SMILESNCCc1cccc(CCN)c1Br
InChIInChI=1S/C10H15BrN2/c11-10-8(4-6-12)2-1-3-9(10)5-7-13/h1-3H,4-7,12-13H2
InChIKeySGQOLMPQXBTMEM-UHFFFAOYSA-N
XLogP1.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-methoxyphenyl)ethanamine
CID 83711367
2-[4-bromo-2-(3-bromophenyl)sulfanylphenyl]ethanamine
CID 63819028
2-(2,4-dibromophenyl)ethanamine
CID 73012416
2-(3-bromo-2-ethoxyphenyl)ethanamine
CID 61391880
2-(7-bromo-1-benzofuran-3-yl)ethanamine
CID 81048635
CID 89018260
CID 89018260
2-(3-bromo-1-methylindol-7-yl)ethanamine
CID 83900729
2-(2-iodophenyl)ethanamine;hydrochloride
CID 20517474
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-(2-methanidylphenyl)ethanamine;palladium
CID 175142647
azane;2-(2-chlorophenyl)ethanamine
CID 70087147

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine?
The IUPAC name of 2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine (CID 170868655) is 2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine?
The canonical SMILES for 2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine is NCCc1cccc(CCN)c1Br.
What is the InChIKey of 2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine?
The InChIKey is SGQOLMPQXBTMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c11-10-8(4-6-12)2-1-3-9(10)5-7-13/h1-3H,4-7,12-13H2.
What are the key properties of 2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine?
2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine has a molecular weight of 243.15 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine is sourced from PubChem (CID 170868655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).