3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine

C13H13ClN2 — CID 106870023

IUPAC3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(Cc2cccnc2N)c(Cl)c1
InChIInChI=1S/C13H13ClN2/c1-9-4-5-10(12(14)7-9)8-11-3-2-6-16-13(11)15/h2-7H,8H2,1H3,(H2,15,16)
InChIKeyCENFTIPSTYSROL-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.22
Rot. Bonds2

About 3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine

3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine (PubChem CID 106870023) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine
PubChem CID106870023
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine
SMILESCc1ccc(Cc2cccnc2N)c(Cl)c1
InChIInChI=1S/C13H13ClN2/c1-9-4-5-10(12(14)7-9)8-11-3-2-6-16-13(11)15/h2-7H,8H2,1H3,(H2,15,16)
InChIKeyCENFTIPSTYSROL-UHFFFAOYSA-N
XLogP3.22
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chloro-4-methylphenyl)methyl]pyridin-2-amine
CID 107560925
3-[(3-chlorothiophen-2-yl)methyl]pyridin-2-amine
CID 107360745
3-[(4-bromo-3-chloro-2-fluorophenyl)methyl]pyridin-2-amine
CID 106763395
3-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62464607
3-[(4-chloro-1-ethylpyrazol-5-yl)methyl]pyridin-2-amine
CID 114663382
3-[(3-methylphenoxy)methyl]pyridin-2-amine
CID 62465645
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
N-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine
CID 129211808
3-[2-methyl-3-(methylamino)propyl]pyridin-2-amine
CID 64664973
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859
1-(3-bromo-2-pyridinyl)-2-(2-chloro-4-methylphenyl)-N-methylethanamine
CID 106868760
2,4-dichloro-1-[(2,4-dimethylphenyl)methyl]benzene
CID 57116365

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine (CID 106870023) is 3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine is Cc1ccc(Cc2cccnc2N)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is CENFTIPSTYSROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-9-4-5-10(12(14)7-9)8-11-3-2-6-16-13(11)15/h2-7H,8H2,1H3,(H2,15,16).
What are the key properties of 3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine?
3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 232.71 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 106870023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).