2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine

C15H15ClN2 — CID 114256349

IUPAC2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine
SMILESCc1cc(Cl)ccc1N1Cc2cccc(N)c2C1
InChIInChI=1S/C15H15ClN2/c1-10-7-12(16)5-6-15(10)18-8-11-3-2-4-14(17)13(11)9-18/h2-7H,8-9,17H2,1H3
InChIKeyZRKQSBNLMZNXMH-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.75
Rot. Bonds1

About 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine

2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine (PubChem CID 114256349) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine
PubChem CID114256349
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine
SMILESCc1cc(Cl)ccc1N1Cc2cccc(N)c2C1
InChIInChI=1S/C15H15ClN2/c1-10-7-12(16)5-6-15(10)18-8-11-3-2-4-14(17)13(11)9-18/h2-7H,8-9,17H2,1H3
InChIKeyZRKQSBNLMZNXMH-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-1,3-dihydroisoindol-4-amine
CID 43370057
2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole
CID 954409
2-(2-bromo-5-chlorophenyl)-1,3-dihydroisoindol-4-amine
CID 81275195
2-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dihydroisoindol-4-amine
CID 43370124
2-(4-fluoro-3-methylphenyl)-1,3-dihydroisoindol-4-amine
CID 62812209
2-(4-bromo-2,6-dichlorophenyl)-1,3-dihydroisoindol-4-amine
CID 43175726
2-(2,3,5,6-tetrafluorophenyl)-1,3-dihydroisoindol-4-amine
CID 107645773
2-(4,6-dimethyl-2-pyridinyl)-1,3-dihydroisoindol-4-amine
CID 114932785
2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-4-amine
CID 43370032
2-(5-fluoro-3-pyridinyl)-1,3-dihydroisoindol-4-amine
CID 114254655
2-(5-bromo-3-pyridinyl)-1,3-dihydroisoindol-4-amine
CID 114223014
2-[2-(difluoromethoxy)phenyl]-1,3-dihydroisoindol-4-amine
CID 43175728

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine (CID 114256349) is 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine is Cc1cc(Cl)ccc1N1Cc2cccc(N)c2C1.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is ZRKQSBNLMZNXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-10-7-12(16)5-6-15(10)18-8-11-3-2-4-14(17)13(11)9-18/h2-7H,8-9,17H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine?
2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 258.75 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 114256349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).