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

C17H21N3 — CID 82544949

IUPAC1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine
SMILESCN(C)c1cccc2c1CN(c1ccccc1)C2CN
InChIInChI=1S/C17H21N3/c1-19(2)16-10-6-9-14-15(16)12-20(17(14)11-18)13-7-4-3-5-8-13/h3-10,17H,11-12,18H2,1-2H3
InChIKeyHNNZZJJYPPMHSO-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.77
Rot. Bonds3

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

1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine (PubChem CID 82544949) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine
PubChem CID82544949
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine
SMILESCN(C)c1cccc2c1CN(c1ccccc1)C2CN
InChIInChI=1S/C17H21N3/c1-19(2)16-10-6-9-14-15(16)12-20(17(14)11-18)13-7-4-3-5-8-13/h3-10,17H,11-12,18H2,1-2H3
InChIKeyHNNZZJJYPPMHSO-UHFFFAOYSA-N
XLogP2.77
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine
CID 110449660
1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine
CID 82544921
1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine
CID 82544961
4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol
CID 82545707
(4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82544440
(4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545722
1-(aminomethyl)-N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 110449655
1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 110449667
[4,5,6-trimethoxy-2-(3-methoxyphenyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 110450153
(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545740
[(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine
CID 96618250
[2-(1,3-benzodioxol-5-yl)-5-chloro-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 110449727

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine?
The IUPAC name of 1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine (CID 82544949) is 1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine is CN(C)c1cccc2c1CN(c1ccccc1)C2CN.
What is the InChIKey of 1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine?
The InChIKey is HNNZZJJYPPMHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-19(2)16-10-6-9-14-15(16)12-20(17(14)11-18)13-7-4-3-5-8-13/h3-10,17H,11-12,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine?
1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine has a molecular weight of 267.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 82544949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).