1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine

C19H22N2O2 — CID 121230870

IUPAC1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc2[nH]cc(CN(C)C)c2c1OCc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-21(2)12-15-11-20-16-9-10-17(22-3)19(18(15)16)23-13-14-7-5-4-6-8-14/h4-11,20H,12-13H2,1-3H3
InChIKeyKMGZCSJZUKNQJR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.82
Rot. Bonds6

About 1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine

1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine (PubChem CID 121230870) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
PubChem CID121230870
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
SMILESCOc1ccc2[nH]cc(CN(C)C)c2c1OCc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-21(2)12-15-11-20-16-9-10-17(22-3)19(18(15)16)23-13-14-7-5-4-6-8-14/h4-11,20H,12-13H2,1-3H3
InChIKeyKMGZCSJZUKNQJR-UHFFFAOYSA-N
XLogP3.82
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
N,N-dimethyl-1-[2-(5-phenylmethoxy-1H-indol-3-yl)phenyl]methanamine
CID 174402839
6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
CID 135830914
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074149
N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
CID 156852024
1-[2-(4-methoxy-3-phenylmethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 1044030
1-(4-fluorophenyl)-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]methanamine;hydrochloride
CID 17292639
7-methoxy-8-phenylmethoxyquinoline
CID 67057987
3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086764
2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 11014184
1-(5-benzylsulfanyl-2-phenylmethoxyphenyl)-N,N-dimethylmethanamine
CID 177043026
5,6-bis(phenylmethoxy)-3-propyl-1H-indole
CID 134391777

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine (CID 121230870) is 1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine is COc1ccc2[nH]cc(CN(C)C)c2c1OCc1ccccc1.
What is the InChIKey of 1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine?
The InChIKey is KMGZCSJZUKNQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-21(2)12-15-11-20-16-9-10-17(22-3)19(18(15)16)23-13-14-7-5-4-6-8-14/h4-11,20H,12-13H2,1-3H3.
What are the key properties of 1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine?
1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine has a molecular weight of 310.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 121230870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).