6-phenylmethoxy-3H-isoindol-1-amine

C15H14N2O — CID 160873033

IUPAC6-phenylmethoxy-3H-isoindol-1-amine
SMILESNC1=NCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C15H14N2O/c16-15-14-8-13(7-6-12(14)9-17-15)18-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,16,17)
InChIKeyLCJCMSHZWFQFIK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.48
Rot. Bonds3

About 6-phenylmethoxy-3H-isoindol-1-amine

6-phenylmethoxy-3H-isoindol-1-amine (PubChem CID 160873033) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-phenylmethoxy-3H-isoindol-1-amine.

Molecular Properties

Compound Name6-phenylmethoxy-3H-isoindol-1-amine
PubChem CID160873033
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name6-phenylmethoxy-3H-isoindol-1-amine
SMILESNC1=NCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C15H14N2O/c16-15-14-8-13(7-6-12(14)9-17-15)18-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,16,17)
InChIKeyLCJCMSHZWFQFIK-UHFFFAOYSA-N
XLogP2.48
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 58380051
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
4-methylidene-6-phenylmethoxy-2,3-dihydro-1H-isoquinoline
CID 145043071
ethane;6-phenylmethoxy-2,3-dihydroisoindol-1-one
CID 91072000
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
4-phenylmethoxyaniline
CID 159966727
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene;4-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 160808164
2-(cyclopenten-1-yl)-4-phenylmethoxyaniline
CID 146295903
(2E)-2-(4-phenylmethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienylidene)acetic acid
CID 68770096
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
(7-phenylmethoxy-4,5-dihydro-3H-2-benzazepin-1-yl)hydrazine
CID 139213873

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-3H-isoindol-1-amine?
The IUPAC name of 6-phenylmethoxy-3H-isoindol-1-amine (CID 160873033) is 6-phenylmethoxy-3H-isoindol-1-amine.
What is the SMILES notation for 6-phenylmethoxy-3H-isoindol-1-amine?
The canonical SMILES for 6-phenylmethoxy-3H-isoindol-1-amine is NC1=NCc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 6-phenylmethoxy-3H-isoindol-1-amine?
The InChIKey is LCJCMSHZWFQFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-15-14-8-13(7-6-12(14)9-17-15)18-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,16,17).
What are the key properties of 6-phenylmethoxy-3H-isoindol-1-amine?
6-phenylmethoxy-3H-isoindol-1-amine has a molecular weight of 238.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-3H-isoindol-1-amine is sourced from PubChem (CID 160873033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).