N-[2-(6-methyl-3-pyridinyl)ethyl]aniline

C14H16N2 — CID 687028

IUPACN-[2-(6-methyl-3-pyridinyl)ethyl]aniline
SMILESCc1ccc(CCNc2ccccc2)cn1
InChIInChI=1S/C14H16N2/c1-12-7-8-13(11-16-12)9-10-15-14-5-3-2-4-6-14/h2-8,11,15H,9-10H2,1H3
InChIKeyNYZHDBKVHXVXBL-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.04
Rot. Bonds4

About N-[2-(6-methyl-3-pyridinyl)ethyl]aniline

N-[2-(6-methyl-3-pyridinyl)ethyl]aniline (PubChem CID 687028) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[2-(6-methyl-3-pyridinyl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(6-methyl-3-pyridinyl)ethyl]aniline
PubChem CID687028
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-[2-(6-methyl-3-pyridinyl)ethyl]aniline
SMILESCc1ccc(CCNc2ccccc2)cn1
InChIInChI=1S/C14H16N2/c1-12-7-8-13(11-16-12)9-10-15-14-5-3-2-4-6-14/h2-8,11,15H,9-10H2,1H3
InChIKeyNYZHDBKVHXVXBL-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-3-pyridinyl)ethyl]aniline?
The IUPAC name of N-[2-(6-methyl-3-pyridinyl)ethyl]aniline (CID 687028) is N-[2-(6-methyl-3-pyridinyl)ethyl]aniline.
What is the SMILES notation for N-[2-(6-methyl-3-pyridinyl)ethyl]aniline?
The canonical SMILES for N-[2-(6-methyl-3-pyridinyl)ethyl]aniline is Cc1ccc(CCNc2ccccc2)cn1.
What is the InChIKey of N-[2-(6-methyl-3-pyridinyl)ethyl]aniline?
The InChIKey is NYZHDBKVHXVXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-12-7-8-13(11-16-12)9-10-15-14-5-3-2-4-6-14/h2-8,11,15H,9-10H2,1H3.
What are the key properties of N-[2-(6-methyl-3-pyridinyl)ethyl]aniline?
N-[2-(6-methyl-3-pyridinyl)ethyl]aniline has a molecular weight of 212.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-3-pyridinyl)ethyl]aniline is sourced from PubChem (CID 687028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).