5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline

C17H25N3O — CID 66410939

IUPAC5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
SMILESCCn1cccc1CNc1cc(CN(C)C)ccc1OC
InChIInChI=1S/C17H25N3O/c1-5-20-10-6-7-15(20)12-18-16-11-14(13-19(2)3)8-9-17(16)21-4/h6-11,18H,5,12-13H2,1-4H3
InChIKeyGFAKDAVNPPUFPY-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.19
Rot. Bonds7

About 5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline

5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline (PubChem CID 66410939) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
PubChem CID66410939
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
SMILESCCn1cccc1CNc1cc(CN(C)C)ccc1OC
InChIInChI=1S/C17H25N3O/c1-5-20-10-6-7-15(20)12-18-16-11-14(13-19(2)3)8-9-17(16)21-4/h6-11,18H,5,12-13H2,1-4H3
InChIKeyGFAKDAVNPPUFPY-UHFFFAOYSA-N
XLogP3.19
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865
3-[(1-ethylpyrrol-2-yl)methylamino]-4-methoxybenzamide
CID 66412329
5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 61324530
5-[(dimethylamino)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43686510
5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 43686508
5-[(dimethylamino)methyl]-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 62346152
1-(1-ethylpyrrol-2-yl)-N,N-dimethylmethanamine
CID 45088335
N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline
CID 43686533
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524
2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine
CID 66387140
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411864
3-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propanamide
CID 43703754

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline?
The IUPAC name of 5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline (CID 66410939) is 5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline is CCn1cccc1CNc1cc(CN(C)C)ccc1OC.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline?
The InChIKey is GFAKDAVNPPUFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-20-10-6-7-15(20)12-18-16-11-14(13-19(2)3)8-9-17(16)21-4/h6-11,18H,5,12-13H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline?
5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline has a molecular weight of 287.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 66410939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).