2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine

C14H16ClN3 — CID 62475698

IUPAC2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3/c1-10-7-13(16)8-17-14(10)18(2)9-11-3-5-12(15)6-4-11/h3-8H,9,16H2,1-2H3
InChIKeyAMQCUDZMUUPPGO-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.26
Rot. Bonds3

About 2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine

2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine (PubChem CID 62475698) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
PubChem CID62475698
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3/c1-10-7-13(16)8-17-14(10)18(2)9-11-3-5-12(15)6-4-11/h3-8H,9,16H2,1-2H3
InChIKeyAMQCUDZMUUPPGO-UHFFFAOYSA-N
XLogP3.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine (CID 62475698) is 2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine is Cc1cc(N)cnc1N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
The InChIKey is AMQCUDZMUUPPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-7-13(16)8-17-14(10)18(2)9-11-3-5-12(15)6-4-11/h3-8H,9,16H2,1-2H3.
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine?
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine has a molecular weight of 261.76 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 62475698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).