(2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine

C20H26N2O — CID 110450193

IUPAC(2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
SMILESCC(C)(C)N1Cc2ccc(OCc3ccccc3)cc2C1CN
InChIInChI=1S/C20H26N2O/c1-20(2,3)22-13-16-9-10-17(11-18(16)19(22)12-21)23-14-15-7-5-4-6-8-15/h4-11,19H,12-14,21H2,1-3H3
InChIKeyTXHINFMOHJRJQT-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.88
Rot. Bonds4

About (2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine

(2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 110450193) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID110450193
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
SMILESCC(C)(C)N1Cc2ccc(OCc3ccccc3)cc2C1CN
InChIInChI=1S/C20H26N2O/c1-20(2,3)22-13-16-9-10-17(11-18(16)19(22)12-21)23-14-15-7-5-4-6-8-15/h4-11,19H,12-14,21H2,1-3H3
InChIKeyTXHINFMOHJRJQT-UHFFFAOYSA-N
XLogP3.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544336
[2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine
CID 110450211
(4R)-2-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 166626926
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
1,3,3-tritert-butyl-6-phenylmethoxy-2H-indole
CID 58172261
2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 91665585
2-amino-1-(3-phenylmethoxyphenyl)ethanol;6-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-4-ol
CID 158159373
ethyl 3-phenylmethoxy-1a,6-dihydrocyclopropa[a]indene-1-carboxylate
CID 135245038
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375582
[6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 110450172
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine (CID 110450193) is (2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine is CC(C)(C)N1Cc2ccc(OCc3ccccc3)cc2C1CN.
What is the InChIKey of (2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is TXHINFMOHJRJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-20(2,3)22-13-16-9-10-17(11-18(16)19(22)12-21)23-14-15-7-5-4-6-8-15/h4-11,19H,12-14,21H2,1-3H3.
What are the key properties of (2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine?
(2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 310.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 110450193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).