N-phenyl-1,3-dihydroisoindol-2-amine

C14H14N2 — CID 22900857

IUPACN-phenyl-1,3-dihydroisoindol-2-amine
SMILESc1ccc(NN2Cc3ccccc3C2)cc1
InChIInChI=1S/C14H14N2/c1-2-8-14(9-3-1)15-16-10-12-6-4-5-7-13(12)11-16/h1-9,15H,10-11H2
InChIKeyBHGXBDIJFTZVHE-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.03
Rot. Bonds2

About N-phenyl-1,3-dihydroisoindol-2-amine

N-phenyl-1,3-dihydroisoindol-2-amine (PubChem CID 22900857) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-phenyl-1,3-dihydroisoindol-2-amine.

Molecular Properties

Compound NameN-phenyl-1,3-dihydroisoindol-2-amine
PubChem CID22900857
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC NameN-phenyl-1,3-dihydroisoindol-2-amine
SMILESc1ccc(NN2Cc3ccccc3C2)cc1
InChIInChI=1S/C14H14N2/c1-2-8-14(9-3-1)15-16-10-12-6-4-5-7-13(12)11-16/h1-9,15H,10-11H2
InChIKeyBHGXBDIJFTZVHE-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-dihydroisoindol-2-amine
CID 23342926
N-(1,3-dihydroisoindol-2-yl)benzamide
CID 3118896
(3S,5R)-3,4,5-trimethyl-N-phenylpiperazin-1-amine
CID 122509172
N-[3-(1,3-dihydroisoindol-2-yl)propyl]aniline
CID 62570411
N-(3-fluoro-4-pyridinyl)-1,3-dihydroisoindol-2-amine
CID 19595196
4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine
CID 91408724
ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine
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N-phenyl-4-piperidin-1-ylpiperidin-1-amine
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2-oxido-1,3-dihydroisoindole
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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,3-dihydroisoindol-2-amine?
The IUPAC name of N-phenyl-1,3-dihydroisoindol-2-amine (CID 22900857) is N-phenyl-1,3-dihydroisoindol-2-amine.
What is the SMILES notation for N-phenyl-1,3-dihydroisoindol-2-amine?
The canonical SMILES for N-phenyl-1,3-dihydroisoindol-2-amine is c1ccc(NN2Cc3ccccc3C2)cc1.
What is the InChIKey of N-phenyl-1,3-dihydroisoindol-2-amine?
The InChIKey is BHGXBDIJFTZVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-8-14(9-3-1)15-16-10-12-6-4-5-7-13(12)11-16/h1-9,15H,10-11H2.
What are the key properties of N-phenyl-1,3-dihydroisoindol-2-amine?
N-phenyl-1,3-dihydroisoindol-2-amine has a molecular weight of 210.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,3-dihydroisoindol-2-amine is sourced from PubChem (CID 22900857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).