1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine

C18H20N2O — CID 66362726

IUPAC1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine
SMILESCc1ccc2c(c1)CC(CN1CCc3cc(N)ccc31)O2
InChIInChI=1S/C18H20N2O/c1-12-2-5-18-14(8-12)10-16(21-18)11-20-7-6-13-9-15(19)3-4-17(13)20/h2-5,8-9,16H,6-7,10-11,19H2,1H3
InChIKeyWQRWXWCMFBPVHA-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.94
Rot. Bonds2

About 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine

1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine (PubChem CID 66362726) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine.

Molecular Properties

Compound Name1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine
PubChem CID66362726
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine
SMILESCc1ccc2c(c1)CC(CN1CCc3cc(N)ccc31)O2
InChIInChI=1S/C18H20N2O/c1-12-2-5-18-14(8-12)10-16(21-18)11-20-7-6-13-9-15(19)3-4-17(13)20/h2-5,8-9,16H,6-7,10-11,19H2,1H3
InChIKeyWQRWXWCMFBPVHA-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-6-amine
CID 66363550
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66360837
2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 70332550
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]methanamine
CID 66361908
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione
CID 66391953
4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 66362667
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one
CID 66360874
3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine
CID 66360979
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine
CID 106864189
3-chloro-4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]aniline
CID 66360029
3-ethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66392147

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine?
The IUPAC name of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine (CID 66362726) is 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine.
What is the SMILES notation for 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine?
The canonical SMILES for 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine is Cc1ccc2c(c1)CC(CN1CCc3cc(N)ccc31)O2.
What is the InChIKey of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine?
The InChIKey is WQRWXWCMFBPVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-2-5-18-14(8-12)10-16(21-18)11-20-7-6-13-9-15(19)3-4-17(13)20/h2-5,8-9,16H,6-7,10-11,19H2,1H3.
What are the key properties of 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine?
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine has a molecular weight of 280.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine is sourced from PubChem (CID 66362726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).