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

C15H17ClN2 — CID 83164219

IUPAC4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
SMILESCc1ccc(C(C)Nc2cnccc2Cl)cc1C
InChIInChI=1S/C15H17ClN2/c1-10-4-5-13(8-11(10)2)12(3)18-15-9-17-7-6-14(15)16/h4-9,12,18H,1-3H3
InChIKeyKCXSWZIUPRZCIF-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.52
Rot. Bonds3

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

4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine (PubChem CID 83164219) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
PubChem CID83164219
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
SMILESCc1ccc(C(C)Nc2cnccc2Cl)cc1C
InChIInChI=1S/C15H17ClN2/c1-10-4-5-13(8-11(10)2)12(3)18-15-9-17-7-6-14(15)16/h4-9,12,18H,1-3H3
InChIKeyKCXSWZIUPRZCIF-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
CID 83165925
4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
N-[1-(3,4-dimethylphenyl)ethyl]isoquinolin-5-amine
CID 43681331
4-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]pyridin-3-amine
CID 83164376
4-chloro-N-[1-(4-propylphenyl)ethyl]pyridin-3-amine
CID 83166730
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 83167004
3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 83167376
2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
4-chloro-N-[1-(2,4-dibromophenyl)ethyl]pyridin-3-amine
CID 83167167
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 83075673
3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
CID 79839779
4-methyl-N-(1-naphthalen-2-ylethyl)pyridin-3-amine
CID 63329846

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine (CID 83164219) is 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine is Cc1ccc(C(C)Nc2cnccc2Cl)cc1C.
What is the InChIKey of 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine?
The InChIKey is KCXSWZIUPRZCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-4-5-13(8-11(10)2)12(3)18-15-9-17-7-6-14(15)16/h4-9,12,18H,1-3H3.
What are the key properties of 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine?
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine has a molecular weight of 260.77 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 83164219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).