2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine

C16H17ClN2 — CID 114860770

IUPAC2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine
SMILESNCCc1ccc(Cl)cc1N1Cc2ccccc2C1
InChIInChI=1S/C16H17ClN2/c17-15-6-5-12(7-8-18)16(9-15)19-10-13-3-1-2-4-14(13)11-19/h1-6,9H,7-8,10-11,18H2
InChIKeyBUHYXNWAAQMPGS-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.36
Rot. Bonds3

About 2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine

2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine (PubChem CID 114860770) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine
PubChem CID114860770
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine
SMILESNCCc1ccc(Cl)cc1N1Cc2ccccc2C1
InChIInChI=1S/C16H17ClN2/c17-15-6-5-12(7-8-18)16(9-15)19-10-13-3-1-2-4-14(13)11-19/h1-6,9H,7-8,10-11,18H2
InChIKeyBUHYXNWAAQMPGS-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-2-(chloromethyl)phenyl]-1,3-dihydroisoindole
CID 114846605
2-(4-chloro-2-morpholin-4-ylphenyl)ethanamine
CID 114860184
2-[4-chloro-2-(2,6-dimethylthiomorpholin-4-yl)phenyl]ethanamine
CID 114861712
2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole
CID 954409
2-[4-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 114860944
2-[4-chloro-2-(5-phenyltetrazol-2-yl)phenyl]ethanamine
CID 114862330
2-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-chlorophenyl]ethanamine
CID 114861027
4-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)aniline
CID 115468950
2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-chlorophenyl]ethanamine
CID 114861974
2-[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanamine
CID 114862082
2-(4-chloro-2-iodophenyl)-1,3-dihydroisoindol-5-amine
CID 107629433
2-[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 114862348

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine (CID 114860770) is 2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine is NCCc1ccc(Cl)cc1N1Cc2ccccc2C1.
What is the InChIKey of 2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine?
The InChIKey is BUHYXNWAAQMPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-15-6-5-12(7-8-18)16(9-15)19-10-13-3-1-2-4-14(13)11-19/h1-6,9H,7-8,10-11,18H2.
What are the key properties of 2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine?
2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine has a molecular weight of 272.78 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(1,3-dihydroisoindol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 114860770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).