(4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine

C15H14Cl2N2 — CID 82544440

IUPAC(4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cc(Cl)cc(Cl)c2CN1c1ccccc1
InChIInChI=1S/C15H14Cl2N2/c16-10-6-12-13(14(17)7-10)9-19(15(12)8-18)11-4-2-1-3-5-11/h1-7,15H,8-9,18H2
InChIKeyNUWBAWRCFMGEEW-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.01
Rot. Bonds2

About (4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine

(4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82544440) has the molecular formula C15H14Cl2N2 and a molecular weight of 293.20 g/mol. Its IUPAC name is (4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82544440
Molecular FormulaC15H14Cl2N2
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name(4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cc(Cl)cc(Cl)c2CN1c1ccccc1
InChIInChI=1S/C15H14Cl2N2/c16-10-6-12-13(14(17)7-10)9-19(15(12)8-18)11-4-2-1-3-5-11/h1-7,15H,8-9,18H2
InChIKeyNUWBAWRCFMGEEW-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine
CID 82544949
3-[1-(aminomethyl)-4,6-dichloro-1,3-dihydroisoindol-2-yl]propan-1-ol
CID 82544448
5-[1-(aminomethyl)-4,6-dichloro-1,3-dihydroisoindol-2-yl]pentan-1-ol
CID 110450025
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 172804184
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;ethane
CID 142248458
[4,5,6-trimethoxy-2-(3-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 110450153
4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol
CID 82545707
1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine
CID 110449660
[2-(1,3-benzodioxol-5-yl)-5-chloro-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 110449727
3-[1-(aminomethyl)-4-fluoro-6-methoxy-1,3-dihydroisoindol-2-yl]phenol
CID 82544879
(4-chloro-2-cyclopropyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545204
2-(2,4-dichlorophenyl)-1,3-diphenyl-1,3-diazinane
CID 3089207

Frequently Asked Questions

What is the IUPAC name of (4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine (CID 82544440) is (4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine is NCC1c2cc(Cl)cc(Cl)c2CN1c1ccccc1.
What is the InChIKey of (4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is NUWBAWRCFMGEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2/c16-10-6-12-13(14(17)7-10)9-19(15(12)8-18)11-4-2-1-3-5-11/h1-7,15H,8-9,18H2.
What are the key properties of (4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine?
(4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 293.20 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82544440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).