N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine

C12H14ClN3 — CID 115693292

IUPACN-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCn1cc(Cl)cc1CNCc1ccncc1
InChIInChI=1S/C12H14ClN3/c1-16-9-11(13)6-12(16)8-15-7-10-2-4-14-5-3-10/h2-6,9,15H,7-8H2,1H3
InChIKeyAMJNZSRYOGHIKN-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.36
Rot. Bonds4

About N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine

N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 115693292) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID115693292
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC NameN-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCn1cc(Cl)cc1CNCc1ccncc1
InChIInChI=1S/C12H14ClN3/c1-16-9-11(13)6-12(16)8-15-7-10-2-4-14-5-3-10/h2-6,9,15H,7-8H2,1H3
InChIKeyAMJNZSRYOGHIKN-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115693281
1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115693317
1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115693290
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 115693305
1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28670574
1-(4-propan-2-ylphenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 4723379
N-[(2-bromo-5-chlorophenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66159083
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2996897
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332139
1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47610762

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine (CID 115693292) is N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine is Cn1cc(Cl)cc1CNCc1ccncc1.
What is the InChIKey of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is AMJNZSRYOGHIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-16-9-11(13)6-12(16)8-15-7-10-2-4-14-5-3-10/h2-6,9,15H,7-8H2,1H3.
What are the key properties of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine?
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.36, 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-pyridin-4-ylmethanamine is sourced from PubChem (CID 115693292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).