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

C18H20N2O — CID 82544349

IUPAC(2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cc(Oc3ccccc3)ccc2CN1C1CC1
InChIInChI=1S/C18H20N2O/c19-11-18-17-10-16(21-15-4-2-1-3-5-15)9-6-13(17)12-20(18)14-7-8-14/h1-6,9-10,14,18H,7-8,11-12,19H2
InChIKeyOTYKQBXFPRQVSS-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.46
Rot. Bonds4

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

(2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine (PubChem CID 82544349) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine
PubChem CID82544349
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine
SMILESNCC1c2cc(Oc3ccccc3)ccc2CN1C1CC1
InChIInChI=1S/C18H20N2O/c19-11-18-17-10-16(21-15-4-2-1-3-5-15)9-6-13(17)12-20(18)14-7-8-14/h1-6,9-10,14,18H,7-8,11-12,19H2
InChIKeyOTYKQBXFPRQVSS-UHFFFAOYSA-N
XLogP3.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-cyclopropyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544336
[6-phenoxy-2-(pyridin-3-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 110450172
(2-tert-butyl-6-phenylmethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 110450193
[2-(1,1-dioxothiolan-3-yl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545236
[2-(2-fluorophenyl)-6-phenylmethoxy-1,3-dihydroisoindol-1-yl]methanamine
CID 110450211
(6-methoxy-2-propan-2-yl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545491
[6-methoxy-2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-1-yl]methanamine
CID 82545430
5-chloro-3-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63512515
7-phenoxy-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 62735626
(2-cyclopropyl-5,6,7-trimethoxy-1,3-dihydroisoindol-1-yl)methanamine
CID 82544375
2-[1-(aminomethyl)-6-(1-methylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-2-methylpropan-1-ol
CID 110450250
(1R)-1-methyl-7-phenoxy-1,2,3,4-tetrahydroisoquinoline
CID 96989866

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine?
The IUPAC name of (2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine (CID 82544349) is (2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine.
What is the SMILES notation for (2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine?
The canonical SMILES for (2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine is NCC1c2cc(Oc3ccccc3)ccc2CN1C1CC1.
What is the InChIKey of (2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine?
The InChIKey is OTYKQBXFPRQVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-11-18-17-10-16(21-15-4-2-1-3-5-15)9-6-13(17)12-20(18)14-7-8-14/h1-6,9-10,14,18H,7-8,11-12,19H2.
What are the key properties of (2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine?
(2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine has a molecular weight of 280.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-6-phenoxy-1,3-dihydroisoindol-1-yl)methanamine is sourced from PubChem (CID 82544349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).