N-[1-(4-methyl-3-pyridinyl)ethyl]aniline

C14H16N2 — CID 115888646

IUPACN-[1-(4-methyl-3-pyridinyl)ethyl]aniline
SMILESCc1ccncc1C(C)Nc1ccccc1
InChIInChI=1S/C14H16N2/c1-11-8-9-15-10-14(11)12(2)16-13-6-4-3-5-7-13/h3-10,12,16H,1-2H3
InChIKeyCVOSXYHNZSMNCD-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.56
Rot. Bonds3

About N-[1-(4-methyl-3-pyridinyl)ethyl]aniline

N-[1-(4-methyl-3-pyridinyl)ethyl]aniline (PubChem CID 115888646) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[1-(4-methyl-3-pyridinyl)ethyl]aniline.

Molecular Properties

Compound NameN-[1-(4-methyl-3-pyridinyl)ethyl]aniline
PubChem CID115888646
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-[1-(4-methyl-3-pyridinyl)ethyl]aniline
SMILESCc1ccncc1C(C)Nc1ccccc1
InChIInChI=1S/C14H16N2/c1-11-8-9-15-10-14(11)12(2)16-13-6-4-3-5-7-13/h3-10,12,16H,1-2H3
InChIKeyCVOSXYHNZSMNCD-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-3-pyridinyl)ethyl]aniline?
The IUPAC name of N-[1-(4-methyl-3-pyridinyl)ethyl]aniline (CID 115888646) is N-[1-(4-methyl-3-pyridinyl)ethyl]aniline.
What is the SMILES notation for N-[1-(4-methyl-3-pyridinyl)ethyl]aniline?
The canonical SMILES for N-[1-(4-methyl-3-pyridinyl)ethyl]aniline is Cc1ccncc1C(C)Nc1ccccc1.
What is the InChIKey of N-[1-(4-methyl-3-pyridinyl)ethyl]aniline?
The InChIKey is CVOSXYHNZSMNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-8-9-15-10-14(11)12(2)16-13-6-4-3-5-7-13/h3-10,12,16H,1-2H3.
What are the key properties of N-[1-(4-methyl-3-pyridinyl)ethyl]aniline?
N-[1-(4-methyl-3-pyridinyl)ethyl]aniline has a molecular weight of 212.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-3-pyridinyl)ethyl]aniline is sourced from PubChem (CID 115888646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).