N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine

C12H15ClN2O — CID 115693305

IUPACN-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2cc(Cl)cn2C)o1
InChIInChI=1S/C12H15ClN2O/c1-9-3-4-12(16-9)7-14-6-11-5-10(13)8-15(11)2/h3-5,8,14H,6-7H2,1-2H3
InChIKeyDKHZTKXBXRQMHV-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.87
Rot. Bonds4

About N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine

N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine (PubChem CID 115693305) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
PubChem CID115693305
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2cc(Cl)cn2C)o1
InChIInChI=1S/C12H15ClN2O/c1-9-3-4-12(16-9)7-14-6-11-5-10(13)8-15(11)2/h3-5,8,14H,6-7H2,1-2H3
InChIKeyDKHZTKXBXRQMHV-UHFFFAOYSA-N
XLogP2.87
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetyl-1-furfurylpyrrole
CID 20560368
1-((Furan-2-yl)methyl)-1H-pyrrole-2-carbaldehyde
CID 529880
3-chloro-2-[5-[(1Z)-1-pyrrol-2-ylideneethyl]-2-furyl]-1H-pyrrole
CID 135465454
Pyrrole, 1-(5-methylfurfuryl)
CID 529064
N-[2-(furan-2-carbonylamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 30776096
4-chloro-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrrole-2-carboxamide
CID 52941473
(E)-1-(4-chloro-1H-pyrrol-2-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 52948811
1-[(4-Chloro-2-pyridinyl)methyl]-3-(furan-2-ylmethyl)urea
CID 75396749
2-({4-[(1-Methylpyrrol-2-yl)methyl]piperazinyl}methyl)furan
CID 764590
[(5-Methylfuran-2-yl)methyl][(pyridin-2-yl)methyl]amine dihydrochloride
CID 132372586
(E)-3-(5-methylfuran-2-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 5737988
2-[1-(3-Chlorophenyl)-1H-pyrrol-2-YL]-N-[(furan-2-YL)methyl]-N-methylacetamide
CID 53148038

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine (CID 115693305) is N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine is Cc1ccc(CNCc2cc(Cl)cn2C)o1.
What is the InChIKey of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is DKHZTKXBXRQMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-9-3-4-12(16-9)7-14-6-11-5-10(13)8-15(11)2/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine?
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 238.72 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 115693305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).