4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid

C18H18N2O3 — CID 150021388

IUPAC4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid
SMILESCOc1ccc(CNCc2ccc(C(=O)O)c3[nH]ccc23)cc1
InChIInChI=1S/C18H18N2O3/c1-23-14-5-2-12(3-6-14)10-19-11-13-4-7-16(18(21)22)17-15(13)8-9-20-17/h2-9,19-20H,10-11H2,1H3,(H,21,22)
InChIKeyDFICLRHIWXYECI-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.16
Rot. Bonds6

About 4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid

4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid (PubChem CID 150021388) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid
PubChem CID150021388
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid
SMILESCOc1ccc(CNCc2ccc(C(=O)O)c3[nH]ccc23)cc1
InChIInChI=1S/C18H18N2O3/c1-23-14-5-2-12(3-6-14)10-19-11-13-4-7-16(18(21)22)17-15(13)8-9-20-17/h2-9,19-20H,10-11H2,1H3,(H,21,22)
InChIKeyDFICLRHIWXYECI-UHFFFAOYSA-N
XLogP3.16
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-[(4-methoxyphenyl)methyl]-1H-pyrrole-3-carboxylic acid
CID 96599946
2-[5-[[(4-methoxyphenyl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894251
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid
CID 163327227
1-[(4-methoxyphenyl)methylamino]-3-methylbutan-2-one
CID 177295585
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690812
2-[(4-methoxyphenyl)methylamino]ethylurea
CID 83110239
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
3-[[(4-methoxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 61318048

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid?
The IUPAC name of 4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid (CID 150021388) is 4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid.
What is the SMILES notation for 4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid?
The canonical SMILES for 4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid is COc1ccc(CNCc2ccc(C(=O)O)c3[nH]ccc23)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid?
The InChIKey is DFICLRHIWXYECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-14-5-2-12(3-6-14)10-19-11-13-4-7-16(18(21)22)17-15(13)8-9-20-17/h2-9,19-20H,10-11H2,1H3,(H,21,22).
What are the key properties of 4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid?
4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)methylamino]methyl]-1H-indole-7-carboxylic acid is sourced from PubChem (CID 150021388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).