1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine

C14H15ClN2 — CID 83303844

IUPAC1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNCc1cccnc1Cl
InChIInChI=1S/C14H15ClN2/c1-11-5-2-3-6-12(11)9-16-10-13-7-4-8-17-14(13)15/h2-8,16H,9-10H2,1H3
InChIKeySLAZMVNSWNWMOJ-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.33
Rot. Bonds4

About 1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine

1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine (PubChem CID 83303844) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
PubChem CID83303844
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine
SMILESCc1ccccc1CNCc1cccnc1Cl
InChIInChI=1S/C14H15ClN2/c1-11-5-2-3-6-12(11)9-16-10-13-7-4-8-17-14(13)15/h2-8,16H,9-10H2,1H3
InChIKeySLAZMVNSWNWMOJ-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
1-(2-chloro-3-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 115614207
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 83296628
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 8898296
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
N-[(2-chloro-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 115614135
N-[(2-chloro-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757397
1-(2-chloro-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 115604829
N-[(2-chloro-3-pyridinyl)methyl]propan-2-amine;hydrochloride
CID 115614136
N-[(2-chloro-3-pyridinyl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639168

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine (CID 83303844) is 1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine is Cc1ccccc1CNCc1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine?
The InChIKey is SLAZMVNSWNWMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-11-5-2-3-6-12(11)9-16-10-13-7-4-8-17-14(13)15/h2-8,16H,9-10H2,1H3.
What are the key properties of 1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine?
1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine has a molecular weight of 246.74 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-N-[(2-methylphenyl)methyl]methanamine is sourced from PubChem (CID 83303844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).