3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine

C14H15ClN2 — CID 79839779

IUPAC3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
SMILESCc1ccc(C(C)Nc2ccncc2Cl)cc1
InChIInChI=1S/C14H15ClN2/c1-10-3-5-12(6-4-10)11(2)17-14-7-8-16-9-13(14)15/h3-9,11H,1-2H3,(H,16,17)
InChIKeySIZACOGHPWIOJA-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.22
Rot. Bonds3

About 3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine

3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine (PubChem CID 79839779) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
PubChem CID79839779
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
SMILESCc1ccc(C(C)Nc2ccncc2Cl)cc1
InChIInChI=1S/C14H15ClN2/c1-10-3-5-12(6-4-10)11(2)17-14-7-8-16-9-13(14)15/h3-9,11H,1-2H3,(H,16,17)
InChIKeySIZACOGHPWIOJA-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(aminomethyl)phenyl]ethyl]-3-chloropyridin-4-amine
CID 79841475
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355702
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
CID 79840895
3-[(3-chloro-4-pyridinyl)amino]butan-2-ol
CID 126992331
2-chloro-N-(1-pyridin-4-ylethyl)aniline
CID 43194712
4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine
CID 83164376
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219
3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 79838916
N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
CID 60967003
2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
CID 79838859
4-methyl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 63329623

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine (CID 79839779) is 3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine is Cc1ccc(C(C)Nc2ccncc2Cl)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine?
The InChIKey is SIZACOGHPWIOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10-3-5-12(6-4-10)11(2)17-14-7-8-16-9-13(14)15/h3-9,11H,1-2H3,(H,16,17).
What are the key properties of 3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine?
3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine has a molecular weight of 246.74 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 79839779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).