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

C19H25N3 — CID 82544921

IUPAC1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine
SMILESCC(c1ccccc1)N1Cc2c(cccc2N(C)C)C1CN
InChIInChI=1S/C19H25N3/c1-14(15-8-5-4-6-9-15)22-13-17-16(19(22)12-20)10-7-11-18(17)21(2)3/h4-11,14,19H,12-13,20H2,1-3H3
InChIKeyHSWVGNUERNIWSE-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.33
Rot. Bonds4

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

1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine (PubChem CID 82544921) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine
PubChem CID82544921
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine
SMILESCC(c1ccccc1)N1Cc2c(cccc2N(C)C)C1CN
InChIInChI=1S/C19H25N3/c1-14(15-8-5-4-6-9-15)22-13-17-16(19(22)12-20)10-7-11-18(17)21(2)3/h4-11,14,19H,12-13,20H2,1-3H3
InChIKeyHSWVGNUERNIWSE-UHFFFAOYSA-N
XLogP3.33
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine
CID 82544949
1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine
CID 82544961
[4-methoxy-2-[1-(4-methoxyphenyl)ethyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 110449570
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
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
(7S)-2-amino-7-(aminomethyl)-6-[(1S)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 22083367
(7R)-2-amino-7-(aminomethyl)-6-[(1R)-1-phenylethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 142107240
[5-methyl-4-(1-phenylethyl)morpholin-2-yl]methanamine
CID 81218045
1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82545732
1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine
CID 142660934
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine (CID 82544921) is 1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine is CC(c1ccccc1)N1Cc2c(cccc2N(C)C)C1CN.
What is the InChIKey of 1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is HSWVGNUERNIWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-14(15-8-5-4-6-9-15)22-13-17-16(19(22)12-20)10-7-11-18(17)21(2)3/h4-11,14,19H,12-13,20H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine?
1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 295.43 g/mol, XLogP of 3.33, 4 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-(1-phenylethyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 82544921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).