[7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine

C17H18N2O — CID 34178501

IUPAC[7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine
SMILESNCc1c[nH]c2c(COCc3ccccc3)cccc12
InChIInChI=1S/C17H18N2O/c18-9-15-10-19-17-14(7-4-8-16(15)17)12-20-11-13-5-2-1-3-6-13/h1-8,10,19H,9,11-12,18H2
InChIKeyPKHCOLBIWJYSJK-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.34
Rot. Bonds5

About [7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine

[7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine (PubChem CID 34178501) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine.

Molecular Properties

Compound Name[7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine
PubChem CID34178501
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine
SMILESNCc1c[nH]c2c(COCc3ccccc3)cccc12
InChIInChI=1S/C17H18N2O/c18-9-15-10-19-17-14(7-4-8-16(15)17)12-20-11-13-5-2-1-3-6-13/h1-8,10,19H,9,11-12,18H2
InChIKeyPKHCOLBIWJYSJK-UHFFFAOYSA-N
XLogP3.34
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181714
[3-(methylaminomethyl)-1H-indol-7-yl]methanamine
CID 117181665
3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181704
[2-(phenylmethoxymethyl)phenyl]methanol
CID 54193166
3-(aminomethyl)-1H-indole-7-carbaldehyde
CID 88961406
[3-(pyrrolidin-1-ylmethyl)-1H-indol-7-yl]methanamine
CID 84692922
CID 66734377
CID 66734377
[4-(phenylmethoxymethyl)naphthalen-1-yl]methanol
CID 146459770
2-methyl-3-(phenylmethoxymethyl)aniline
CID 43509269
2-chloro-6-(phenylmethoxymethyl)aniline
CID 14155410
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
[3-(propan-2-ylsulfonylmethyl)-1H-indol-7-yl]methanamine
CID 117181682

Frequently Asked Questions

What is the IUPAC name of [7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine?
The IUPAC name of [7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine (CID 34178501) is [7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine.
What is the SMILES notation for [7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine?
The canonical SMILES for [7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine is NCc1c[nH]c2c(COCc3ccccc3)cccc12.
What is the InChIKey of [7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine?
The InChIKey is PKHCOLBIWJYSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-9-15-10-19-17-14(7-4-8-16(15)17)12-20-11-13-5-2-1-3-6-13/h1-8,10,19H,9,11-12,18H2.
What are the key properties of [7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine?
[7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(phenylmethoxymethyl)-1H-indol-3-yl]methanamine is sourced from PubChem (CID 34178501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).