1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine

C19H26N4 — CID 110449660

IUPAC1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine
SMILESCN(C)c1cccc(N2Cc3c(cccc3N(C)C)C2CN)c1
InChIInChI=1S/C19H26N4/c1-21(2)14-7-5-8-15(11-14)23-13-17-16(19(23)12-20)9-6-10-18(17)22(3)4/h5-11,19H,12-13,20H2,1-4H3
InChIKeySUQCBJGTRGBKFS-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.84
Rot. Bonds4

About 1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine

1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine (PubChem CID 110449660) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine
PubChem CID110449660
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine
SMILESCN(C)c1cccc(N2Cc3c(cccc3N(C)C)C2CN)c1
InChIInChI=1S/C19H26N4/c1-21(2)14-7-5-8-15(11-14)23-13-17-16(19(23)12-20)9-6-10-18(17)22(3)4/h5-11,19H,12-13,20H2,1-4H3
InChIKeySUQCBJGTRGBKFS-UHFFFAOYSA-N
XLogP2.84
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine?
The IUPAC name of 1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine (CID 110449660) is 1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine is CN(C)c1cccc(N2Cc3c(cccc3N(C)C)C2CN)c1.
What is the InChIKey of 1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine?
The InChIKey is SUQCBJGTRGBKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-21(2)14-7-5-8-15(11-14)23-13-17-16(19(23)12-20)9-6-10-18(17)22(3)4/h5-11,19H,12-13,20H2,1-4H3.
What are the key properties of 1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine?
1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine has a molecular weight of 310.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 110449660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).