[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine

C17H20N2O — CID 106785461

IUPAC[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN2Cc3ccccc3C2)ccc1CN
InChIInChI=1S/C17H20N2O/c1-20-17-8-13(6-7-14(17)9-18)10-19-11-15-4-2-3-5-16(15)12-19/h2-8H,9-12,18H2,1H3
InChIKeyXAQZEGSDGTZUFN-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.67
Rot. Bonds4

About [4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine

[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine (PubChem CID 106785461) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
PubChem CID106785461
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
SMILESCOc1cc(CN2Cc3ccccc3C2)ccc1CN
InChIInChI=1S/C17H20N2O/c1-20-17-8-13(6-7-14(17)9-18)10-19-11-15-4-2-3-5-16(15)12-19/h2-8H,9-12,18H2,1H3
InChIKeyXAQZEGSDGTZUFN-UHFFFAOYSA-N
XLogP2.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-3,4-diol
CID 106785777
[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 84754831
[2-methoxy-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methanamine
CID 106785252
4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol
CID 82958668
[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
CID 106785322
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
[4-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785590
1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
CID 106835613
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1,4-diazepan-5-one
CID 106785491
[2-(1,3-dihydroisoindol-2-ylmethyl)-4-fluorophenyl]methanamine
CID 64769111

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine?
The IUPAC name of [4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine (CID 106785461) is [4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine.
What is the SMILES notation for [4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine?
The canonical SMILES for [4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine is COc1cc(CN2Cc3ccccc3C2)ccc1CN.
What is the InChIKey of [4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine?
The InChIKey is XAQZEGSDGTZUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-20-17-8-13(6-7-14(17)9-18)10-19-11-15-4-2-3-5-16(15)12-19/h2-8H,9-12,18H2,1H3.
What are the key properties of [4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine?
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine has a molecular weight of 268.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine is sourced from PubChem (CID 106785461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).