5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine

C14H16ClN3 — CID 55046282

IUPAC5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine
SMILESCN(Cc1ccc(Cl)cc1)Cc1ccc(N)nc1
InChIInChI=1S/C14H16ClN3/c1-18(9-11-2-5-13(15)6-3-11)10-12-4-7-14(16)17-8-12/h2-8H,9-10H2,1H3,(H2,16,17)
InChIKeyXLRJZGJVFSSTSY-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.95
Rot. Bonds4

About 5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine

5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine (PubChem CID 55046282) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine
PubChem CID55046282
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine
SMILESCN(Cc1ccc(Cl)cc1)Cc1ccc(N)nc1
InChIInChI=1S/C14H16ClN3/c1-18(9-11-2-5-13(15)6-3-11)10-12-4-7-14(16)17-8-12/h2-8H,9-10H2,1H3,(H2,16,17)
InChIKeyXLRJZGJVFSSTSY-UHFFFAOYSA-N
XLogP2.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]pyridin-2-amine
CID 62183230
5-[[methyl(2-methylsulfanylethyl)amino]methyl]pyridin-2-amine
CID 112659934
5-[[3-methoxypropyl(methyl)amino]methyl]pyridin-2-amine
CID 63007737
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045282
2-bromo-5-[[(4-chlorophenyl)methyl-methylamino]methyl]aniline
CID 115557065
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-4-fluoroaniline
CID 61414831
2-[(6-amino-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 104554394

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine?
The IUPAC name of 5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine (CID 55046282) is 5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine.
What is the SMILES notation for 5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine?
The canonical SMILES for 5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine is CN(Cc1ccc(Cl)cc1)Cc1ccc(N)nc1.
What is the InChIKey of 5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine?
The InChIKey is XLRJZGJVFSSTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-18(9-11-2-5-13(15)6-3-11)10-12-4-7-14(16)17-8-12/h2-8H,9-10H2,1H3,(H2,16,17).
What are the key properties of 5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine?
5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine has a molecular weight of 261.76 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-chlorophenyl)methyl-methylamino]methyl]pyridin-2-amine is sourced from PubChem (CID 55046282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).