5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole

C19H22N2O2 — CID 90054251

IUPAC5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole
SMILESc1ccc(COCN2CC(Oc3ccc4c(c3)CCN4)C2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-4-15(5-3-1)13-22-14-21-11-18(12-21)23-17-6-7-19-16(10-17)8-9-20-19/h1-7,10,18,20H,8-9,11-14H2
InChIKeyNAKYMPZHNHBTIW-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.89
Rot. Bonds6

About 5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole

5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole (PubChem CID 90054251) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole
PubChem CID90054251
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole
SMILESc1ccc(COCN2CC(Oc3ccc4c(c3)CCN4)C2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-4-15(5-3-1)13-22-14-21-11-18(12-21)23-17-6-7-19-16(10-17)8-9-20-19/h1-7,10,18,20H,8-9,11-14H2
InChIKeyNAKYMPZHNHBTIW-UHFFFAOYSA-N
XLogP2.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-(thietan-3-yloxy)-2,3-dihydro-1H-indole
CID 115074586
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole
CID 66926636
5-benzyl-2,3-dihydro-1H-indole
CID 19042869
5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole
CID 114522456
5-(2,3-dihydro-1H-indol-5-yloxymethyl)-2-phenylaniline
CID 89209144
O-(2,3-dihydro-1H-indol-5-yl) benzenecarbothioate
CID 59131718
4-(2,3-dihydro-1H-indol-5-ylmethoxy)phenol
CID 115103984
6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 90054127
1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4260900
1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3596969
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258

Frequently Asked Questions

What is the IUPAC name of 5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole?
The IUPAC name of 5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole (CID 90054251) is 5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole?
The canonical SMILES for 5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole is c1ccc(COCN2CC(Oc3ccc4c(c3)CCN4)C2)cc1.
What is the InChIKey of 5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole?
The InChIKey is NAKYMPZHNHBTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-4-15(5-3-1)13-22-14-21-11-18(12-21)23-17-6-7-19-16(10-17)8-9-20-19/h1-7,10,18,20H,8-9,11-14H2.
What are the key properties of 5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole?
5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole has a molecular weight of 310.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(phenylmethoxymethyl)azetidin-3-yl]oxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 90054251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).