5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine

C15H18ClN3 — CID 80630348

IUPAC5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CN)cnc1N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H18ClN3/c1-11-7-12(8-17)9-18-15(11)19(2)10-13-5-3-4-6-14(13)16/h3-7,9H,8,10,17H2,1-2H3
InChIKeyZDABDSLZZWBDCW-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.14
Rot. Bonds4

About 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine

5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine (PubChem CID 80630348) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
PubChem CID80630348
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CN)cnc1N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H18ClN3/c1-11-7-12(8-17)9-18-15(11)19(2)10-13-5-3-4-6-14(13)16/h3-7,9H,8,10,17H2,1-2H3
InChIKeyZDABDSLZZWBDCW-UHFFFAOYSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]pyridin-2-amine
CID 80629685
5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630036
5-(aminomethyl)-N,3-dimethyl-N-(2-phenylethyl)pyridin-2-amine
CID 80636098
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630731
4-(aminomethyl)-5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 114926248
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-3-methylphenyl]methanamine
CID 114478646
5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine
CID 79884611
5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 62285878
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80635374
5-(aminomethyl)-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 80630281
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-4-amine
CID 62286232

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine (CID 80630348) is 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine is Cc1cc(CN)cnc1N(C)Cc1ccccc1Cl.
What is the InChIKey of 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine?
The InChIKey is ZDABDSLZZWBDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11-7-12(8-17)9-18-15(11)19(2)10-13-5-3-4-6-14(13)16/h3-7,9H,8,10,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine?
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine has a molecular weight of 275.78 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80630348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).