N-[(1-methylpyrrol-3-yl)methyl]aniline

C12H14N2 — CID 66399550

IUPACN-[(1-methylpyrrol-3-yl)methyl]aniline
SMILESCn1ccc(CNc2ccccc2)c1
InChIInChI=1S/C12H14N2/c1-14-8-7-11(10-14)9-13-12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3
InChIKeyVZQBCIBQJXEHAC-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.64
Rot. Bonds3

About N-[(1-methylpyrrol-3-yl)methyl]aniline

N-[(1-methylpyrrol-3-yl)methyl]aniline (PubChem CID 66399550) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]aniline
PubChem CID66399550
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]aniline
SMILESCn1ccc(CNc2ccccc2)c1
InChIInChI=1S/C12H14N2/c1-14-8-7-11(10-14)9-13-12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3
InChIKeyVZQBCIBQJXEHAC-UHFFFAOYSA-N
XLogP2.64
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399139
4-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66397859
N-[(1-methylpyrrol-3-yl)methyl]-4-(trifluoromethyl)aniline
CID 66397431
3-(diethylaminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66398542
N-[(1-methylpyrrol-3-yl)methyl]-2-methylsulfanylaniline
CID 66400207
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethoxy)aniline
CID 66398939
N-methyl-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66399790
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115867947
1-[(1-methylpyrrol-3-yl)methylamino]-2-phenylpropan-2-ol
CID 111696288
1-(1-methylpyrrol-3-yl)-N-phenylmethoxymethanamine
CID 82709493
2-[4-[(1-methylpyrrol-3-yl)methylamino]phenoxy]acetamide
CID 66398106
ethyl 4-[(1-methylpyrrol-3-yl)methylamino]benzoate
CID 66397874

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]aniline?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]aniline (CID 66399550) is N-[(1-methylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]aniline is Cn1ccc(CNc2ccccc2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]aniline?
The InChIKey is VZQBCIBQJXEHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-14-8-7-11(10-14)9-13-12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3.
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]aniline?
N-[(1-methylpyrrol-3-yl)methyl]aniline has a molecular weight of 186.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 66399550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).