3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline

C16H22N2O — CID 66411319

IUPAC3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
SMILESCCCn1cccc1CNc1cccc(COC)c1
InChIInChI=1S/C16H22N2O/c1-3-9-18-10-5-8-16(18)12-17-15-7-4-6-14(11-15)13-19-2/h4-8,10-11,17H,3,9,12-13H2,1-2H3
InChIKeyJTZPFJMOIWAUEB-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.66
Rot. Bonds7

About 3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline

3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline (PubChem CID 66411319) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
PubChem CID66411319
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
SMILESCCCn1cccc1CNc1cccc(COC)c1
InChIInChI=1S/C16H22N2O/c1-3-9-18-10-5-8-16(18)12-17-15-7-4-6-14(11-15)13-19-2/h4-8,10-11,17H,3,9,12-13H2,1-2H3
InChIKeyJTZPFJMOIWAUEB-UHFFFAOYSA-N
XLogP3.66
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(1-propylpyrrol-2-yl)methylamino]benzoate
CID 66411900
3-ethynyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410687
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
4-methoxy-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411382
N-[(1-propylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 66411725
3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 113252285
N-methyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412863
4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410561
4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66413662
3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328403
3-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43672041
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline (CID 66411319) is 3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline is CCCn1cccc1CNc1cccc(COC)c1.
What is the InChIKey of 3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The InChIKey is JTZPFJMOIWAUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-9-18-10-5-8-16(18)12-17-15-7-4-6-14(11-15)13-19-2/h4-8,10-11,17H,3,9,12-13H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline?
3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline has a molecular weight of 258.36 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 66411319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).