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

C19H22N2O — CID 82544336

IUPAC(2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cc(OCc3ccccc3)ccc2CN1C1CC1
InChIInChI=1S/C19H22N2O/c20-11-19-18-10-17(22-13-14-4-2-1-3-5-14)9-6-15(18)12-21(19)16-7-8-16/h1-6,9-10,16,19H,7-8,11-13,20H2
InChIKeyNAWPTCPRUOLZLQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.24
Rot. Bonds5

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

(2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82544336) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82544336
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cc(OCc3ccccc3)ccc2CN1C1CC1
InChIInChI=1S/C19H22N2O/c20-11-19-18-10-17(22-13-14-4-2-1-3-5-14)9-6-15(18)12-21(19)16-7-8-16/h1-6,9-10,16,19H,7-8,11-13,20H2
InChIKeyNAWPTCPRUOLZLQ-UHFFFAOYSA-N
XLogP3.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 110450193
[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
2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 11948118
6-phenylmethoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 142456783
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-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
[2-(1,1-dioxothiolan-3-yl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545236

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine (CID 82544336) is (2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine is NCC1c2cc(OCc3ccccc3)ccc2CN1C1CC1.
What is the InChIKey of (2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is NAWPTCPRUOLZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c20-11-19-18-10-17(22-13-14-4-2-1-3-5-14)9-6-15(18)12-21(19)16-7-8-16/h1-6,9-10,16,19H,7-8,11-13,20H2.
What are the key properties of (2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine?
(2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 294.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82544336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).