4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline

C14H15ClN2 — CID 114255842

IUPAC4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCc1cc(Cl)ccc1NCCc1ccncc1
InChIInChI=1S/C14H15ClN2/c1-11-10-13(15)2-3-14(11)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9H2,1H3
InChIKeyBFYJYCWSMNEDFW-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.70
Rot. Bonds4

About 4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline

4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 114255842) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID114255842
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCc1cc(Cl)ccc1NCCc1ccncc1
InChIInChI=1S/C14H15ClN2/c1-11-10-13(15)2-3-14(11)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9H2,1H3
InChIKeyBFYJYCWSMNEDFW-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-chloro-4-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 104723469
2,4,5-trichloro-N-(2-pyridin-4-ylethyl)aniline
CID 60864708
5-chloro-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 115469594
2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline
CID 107606595
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
N'-(4-chloro-2-methylphenyl)-N-methylpropane-1,3-diamine
CID 18324833
4-bromo-2,3-dichloro-N-(2-pyridin-4-ylethyl)aniline
CID 114001741
3-chloro-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 83107247
2-bromo-5-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82757124
N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964558
4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919954
4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873603

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline (CID 114255842) is 4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline is Cc1cc(Cl)ccc1NCCc1ccncc1.
What is the InChIKey of 4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is BFYJYCWSMNEDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-11-10-13(15)2-3-14(11)17-9-6-12-4-7-16-8-5-12/h2-5,7-8,10,17H,6,9H2,1H3.
What are the key properties of 4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline?
4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 246.74 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 114255842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).