5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine

C20H17N3O — CID 19802663

IUPAC5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine
SMILESc1ccc(COc2ccc3[nH]cc(Nc4ccncc4)c3c2)cc1
InChIInChI=1S/C20H17N3O/c1-2-4-15(5-3-1)14-24-17-6-7-19-18(12-17)20(13-22-19)23-16-8-10-21-11-9-16/h1-13,22H,14H2,(H,21,23)
InChIKeyWJMCFOAWMVTZBL-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.89
Rot. Bonds5

About 5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine

5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine (PubChem CID 19802663) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine.

Molecular Properties

Compound Name5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine
PubChem CID19802663
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine
SMILESc1ccc(COc2ccc3[nH]cc(Nc4ccncc4)c3c2)cc1
InChIInChI=1S/C20H17N3O/c1-2-4-15(5-3-1)14-24-17-6-7-19-18(12-17)20(13-22-19)23-16-8-10-21-11-9-16/h1-13,22H,14H2,(H,21,23)
InChIKeyWJMCFOAWMVTZBL-UHFFFAOYSA-N
XLogP4.89
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole
CID 90344559
[3-(pyridin-4-ylamino)-1H-indol-5-yl] N-methylcarbamate
CID 19802659
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
N-[(3-phenylmethoxyphenyl)methyl]pyridin-4-amine
CID 141029302
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole
CID 57018326
N,N-dimethyl-1-[2-(5-phenylmethoxy-1H-indol-3-yl)phenyl]methanamine
CID 174402839
1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
CID 70695574
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine?
The IUPAC name of 5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine (CID 19802663) is 5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine.
What is the SMILES notation for 5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine?
The canonical SMILES for 5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine is c1ccc(COc2ccc3[nH]cc(Nc4ccncc4)c3c2)cc1.
What is the InChIKey of 5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine?
The InChIKey is WJMCFOAWMVTZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-4-15(5-3-1)14-24-17-6-7-19-18(12-17)20(13-22-19)23-16-8-10-21-11-9-16/h1-13,22H,14H2,(H,21,23).
What are the key properties of 5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine?
5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine has a molecular weight of 315.38 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine is sourced from PubChem (CID 19802663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).