5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine

C15H18ClN3 — CID 62285878

IUPAC5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
SMILESCc1cccc(CN(C)c2ncc(CN)cc2Cl)c1
InChIInChI=1S/C15H18ClN3/c1-11-4-3-5-12(6-11)10-19(2)15-14(16)7-13(8-17)9-18-15/h3-7,9H,8,10,17H2,1-2H3
InChIKeyGEUIPNFTRKRRTQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.14
Rot. Bonds4

About 5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine

5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine (PubChem CID 62285878) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
PubChem CID62285878
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
SMILESCc1cccc(CN(C)c2ncc(CN)cc2Cl)c1
InChIInChI=1S/C15H18ClN3/c1-11-4-3-5-12(6-11)10-19(2)15-14(16)7-13(8-17)9-18-15/h3-7,9H,8,10,17H2,1-2H3
InChIKeyGEUIPNFTRKRRTQ-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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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine (CID 62285878) is 5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine is Cc1cccc(CN(C)c2ncc(CN)cc2Cl)c1.
What is the InChIKey of 5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is GEUIPNFTRKRRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11-4-3-5-12(6-11)10-19(2)15-14(16)7-13(8-17)9-18-15/h3-7,9H,8,10,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine?
5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-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)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 62285878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).