N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine

C19H20N2O — CID 10062927

IUPACN-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine
SMILESc1ccc(CNCC2CCc3ccc4[nH]ccc4c3O2)cc1
InChIInChI=1S/C19H20N2O/c1-2-4-14(5-3-1)12-20-13-16-8-6-15-7-9-18-17(10-11-21-18)19(15)22-16/h1-5,7,9-11,16,20-21H,6,8,12-13H2
InChIKeyAERWLNZHDGJKMO-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.65
Rot. Bonds4

About N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine

N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine (PubChem CID 10062927) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine
PubChem CID10062927
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine
SMILESc1ccc(CNCC2CCc3ccc4[nH]ccc4c3O2)cc1
InChIInChI=1S/C19H20N2O/c1-2-4-14(5-3-1)12-20-13-16-8-6-15-7-9-18-17(10-11-21-18)19(15)22-16/h1-5,7,9-11,16,20-21H,6,8,12-13H2
InChIKeyAERWLNZHDGJKMO-UHFFFAOYSA-N
XLogP3.65
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 12047590
(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 10378389
N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 54200485
(2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol
CID 10685891
2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
CID 15372519
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol
CID 19021789
N-benzyl-1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methanamine;2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene;methane;phenylmethanamine;hydrochloride
CID 158865969
1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 138714590
N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine
CID 10805476
1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine
CID 6918388
2-phenyl-3,4-dihydro-2H-benzo[h]chromene
CID 15828390

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine?
The IUPAC name of N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine (CID 10062927) is N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine?
The canonical SMILES for N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine is c1ccc(CNCC2CCc3ccc4[nH]ccc4c3O2)cc1.
What is the InChIKey of N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine?
The InChIKey is AERWLNZHDGJKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-4-14(5-3-1)12-20-13-16-8-6-15-7-9-18-17(10-11-21-18)19(15)22-16/h1-5,7,9-11,16,20-21H,6,8,12-13H2.
What are the key properties of N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine?
N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine has a molecular weight of 292.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine is sourced from PubChem (CID 10062927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).