6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine

C16H21N3 — CID 83123075

IUPAC6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
SMILESCc1ccccc1CN(C)c1ccc(C(C)N)nc1
InChIInChI=1S/C16H21N3/c1-12-6-4-5-7-14(12)11-19(3)15-8-9-16(13(2)17)18-10-15/h4-10,13H,11,17H2,1-3H3
InChIKeyHBOFSHMSIKVHFH-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.05
Rot. Bonds4

About 6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine

6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine (PubChem CID 83123075) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
PubChem CID83123075
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
SMILESCc1ccccc1CN(C)c1ccc(C(C)N)nc1
InChIInChI=1S/C16H21N3/c1-12-6-4-5-7-14(12)11-19(3)15-8-9-16(13(2)17)18-10-15/h4-10,13H,11,17H2,1-3H3
InChIKeyHBOFSHMSIKVHFH-UHFFFAOYSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine (CID 83123075) is 6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine is Cc1ccccc1CN(C)c1ccc(C(C)N)nc1.
What is the InChIKey of 6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine?
The InChIKey is HBOFSHMSIKVHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-6-4-5-7-14(12)11-19(3)15-8-9-16(13(2)17)18-10-15/h4-10,13H,11,17H2,1-3H3.
What are the key properties of 6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine?
6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine has a molecular weight of 255.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 83123075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).