3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline

C13H16N2O — CID 62328403

IUPAC3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESCOCc1cccc(NCc2ccc[nH]2)c1
InChIInChI=1S/C13H16N2O/c1-16-10-11-4-2-5-12(8-11)15-9-13-6-3-7-14-13/h2-8,14-15H,9-10H2,1H3
InChIKeyXHYYUTFNNYGLRX-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.77
Rot. Bonds5

About 3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline

3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline (PubChem CID 62328403) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline
PubChem CID62328403
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESCOCc1cccc(NCc2ccc[nH]2)c1
InChIInChI=1S/C13H16N2O/c1-16-10-11-4-2-5-12(8-11)15-9-13-6-3-7-14-13/h2-8,14-15H,9-10H2,1H3
InChIKeyXHYYUTFNNYGLRX-UHFFFAOYSA-N
XLogP2.77
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329226
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062
3-(methoxymethyl)-N-methylaniline
CID 23080905
4-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 43672139
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol
CID 70009939
3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328048
3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411319
N-[(5-bromothiophen-3-yl)methyl]-3-(methoxymethyl)aniline
CID 43672271
2-[[3-(methoxymethyl)anilino]methyl]thiophen-3-amine
CID 66386529

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline?
The IUPAC name of 3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline (CID 62328403) is 3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline?
The canonical SMILES for 3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline is COCc1cccc(NCc2ccc[nH]2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline?
The InChIKey is XHYYUTFNNYGLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-16-10-11-4-2-5-12(8-11)15-9-13-6-3-7-14-13/h2-8,14-15H,9-10H2,1H3.
What are the key properties of 3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline?
3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline has a molecular weight of 216.28 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline is sourced from PubChem (CID 62328403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).