1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

C14H16ClN3 — CID 82737650

IUPAC1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCc1ccncc1Cl
InChIInChI=1S/C14H16ClN3/c1-2-11-4-3-6-18-14(11)10-17-8-12-5-7-16-9-13(12)15/h3-7,9,17H,2,8,10H2,1H3
InChIKeySFSCEFKTSPLYEM-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.98
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine

1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (PubChem CID 82737650) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
PubChem CID82737650
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
SMILESCCc1cccnc1CNCc1ccncc1Cl
InChIInChI=1S/C14H16ClN3/c1-2-11-4-3-6-18-14(11)10-17-8-12-5-7-16-9-13(12)15/h3-7,9,17H,2,8,10H2,1H3
InChIKeySFSCEFKTSPLYEM-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-1-pyrazin-2-ylmethanamine
CID 82733194
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
1-(4-chloro-3-fluorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732090
1-(2-ethoxyphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82733206
N-[(3-ethyl-2-pyridinyl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 102881002
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 82738840
1-(3,5-dimethylphenyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731760
N-[(3-ethyl-2-pyridinyl)methyl]-3-methylbut-3-en-1-amine
CID 114472474
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 82733879
1-(7-chloro-1,3-benzodioxol-5-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731707
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 82732935
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 82737497

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine (CID 82737650) is 1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is CCc1cccnc1CNCc1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
The InChIKey is SFSCEFKTSPLYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-2-11-4-3-6-18-14(11)10-17-8-12-5-7-16-9-13(12)15/h3-7,9,17H,2,8,10H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine?
1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine has a molecular weight of 261.76 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 82737650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).