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

C15H17ClN2O2 — CID 83165925

IUPAC4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
SMILESCOc1ccc(C(C)Nc2cnccc2Cl)cc1OC
InChIInChI=1S/C15H17ClN2O2/c1-10(18-13-9-17-7-6-12(13)16)11-4-5-14(19-2)15(8-11)20-3/h4-10,18H,1-3H3
InChIKeyQVYURORUFMLYIP-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.93
Rot. Bonds5

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

4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine (PubChem CID 83165925) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
PubChem CID83165925
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine
SMILESCOc1ccc(C(C)Nc2cnccc2Cl)cc1OC
InChIInChI=1S/C15H17ClN2O2/c1-10(18-13-9-17-7-6-12(13)16)11-4-5-14(19-2)15(8-11)20-3/h4-10,18H,1-3H3
InChIKeyQVYURORUFMLYIP-UHFFFAOYSA-N
XLogP3.93
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(4-chloro-3-pyridinyl)amino]ethyl]-2-methoxyphenol
CID 83166530
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]pyridin-3-amine
CID 83164219
5-bromo-2-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 63478614
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 83075673
4-chloro-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 83167004
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
5-bromo-3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
CID 103580081
4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol
CID 43678633
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylaniline
CID 43107503

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine (CID 83165925) is 4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine is COc1ccc(C(C)Nc2cnccc2Cl)cc1OC.
What is the InChIKey of 4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine?
The InChIKey is QVYURORUFMLYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10(18-13-9-17-7-6-12(13)16)11-4-5-14(19-2)15(8-11)20-3/h4-10,18H,1-3H3.
What are the key properties of 4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine?
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine has a molecular weight of 292.77 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 83165925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).