4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol

C16H18N2O — CID 82545707

IUPAC4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol
SMILESCc1cccc2c1CN(c1ccc(O)cc1)C2CN
InChIInChI=1S/C16H18N2O/c1-11-3-2-4-14-15(11)10-18(16(14)9-17)12-5-7-13(19)8-6-12/h2-8,16,19H,9-10,17H2,1H3
InChIKeyUAUPVCPUFDVFJF-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.72
Rot. Bonds2

About 4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol

4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol (PubChem CID 82545707) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol
PubChem CID82545707
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol
SMILESCc1cccc2c1CN(c1ccc(O)cc1)C2CN
InChIInChI=1S/C16H18N2O/c1-11-3-2-4-14-15(11)10-18(16(14)9-17)12-5-7-13(19)8-6-12/h2-8,16,19H,9-10,17H2,1H3
InChIKeyUAUPVCPUFDVFJF-UHFFFAOYSA-N
XLogP2.72
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-2-pyridin-3-yl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545722
(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545740
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine
CID 82544949
1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82545732
[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545690
1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine
CID 110449660
[2-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 82545681
3-[1-(aminomethyl)-4-fluoro-6-methoxy-1,3-dihydroisoindol-2-yl]phenol
CID 82544879
[2-(1,3-benzodioxol-5-yl)-5-chloro-4-methyl-1,3-dihydroisoindol-1-yl]methanamine
CID 110449727
(4,6-dichloro-2-phenyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82544440
(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 83693378

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol?
The IUPAC name of 4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol (CID 82545707) is 4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol.
What is the SMILES notation for 4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol?
The canonical SMILES for 4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol is Cc1cccc2c1CN(c1ccc(O)cc1)C2CN.
What is the InChIKey of 4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol?
The InChIKey is UAUPVCPUFDVFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-3-2-4-14-15(11)10-18(16(14)9-17)12-5-7-13(19)8-6-12/h2-8,16,19H,9-10,17H2,1H3.
What are the key properties of 4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol?
4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol has a molecular weight of 254.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]phenol is sourced from PubChem (CID 82545707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).