[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine

C17H18N2O — CID 43329869

IUPAC[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc2c(ccn2Cc2ccccc2CN)c1
InChIInChI=1S/C17H18N2O/c1-20-16-6-7-17-13(10-16)8-9-19(17)12-15-5-3-2-4-14(15)11-18/h2-10H,11-12,18H2,1H3
InChIKeyCWGRQFIJUIYZNJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.16
Rot. Bonds4

About [2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine

[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine (PubChem CID 43329869) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine
PubChem CID43329869
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine
SMILESCOc1ccc2c(ccn2Cc2ccccc2CN)c1
InChIInChI=1S/C17H18N2O/c1-20-16-6-7-17-13(10-16)8-9-19(17)12-15-5-3-2-4-14(15)11-18/h2-10H,11-12,18H2,1H3
InChIKeyCWGRQFIJUIYZNJ-UHFFFAOYSA-N
XLogP3.16
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(5-methoxyindol-1-yl)methyl]aniline
CID 64768625
5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
CID 116619485
1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole
CID 116622881
5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
2-bromo-5-[(5-methoxyindol-1-yl)methyl]aniline
CID 115557310
5-methoxy-1-prop-2-ynylindole
CID 45091362
[4-fluoro-2-[(5-methylindol-1-yl)methyl]phenyl]methanamine
CID 64764833
[4-[(5-methoxyindol-1-yl)methyl]phenoxy]boronic acid
CID 169006286
5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
CID 102879209
5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole
CID 116619426
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine (CID 43329869) is [2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine is COc1ccc2c(ccn2Cc2ccccc2CN)c1.
What is the InChIKey of [2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine?
The InChIKey is CWGRQFIJUIYZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-20-16-6-7-17-13(10-16)8-9-19(17)12-15-5-3-2-4-14(15)11-18/h2-10H,11-12,18H2,1H3.
What are the key properties of [2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine?
[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 43329869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).