4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane

C16H23ClN2 — CID 155700046

IUPAC4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
SMILESCC.CC.Nc1cc(Cc2cccc(Cl)c2)ccn1
InChIInChI=1S/C12H11ClN2.2C2H6/c13-11-3-1-2-9(7-11)6-10-4-5-15-12(14)8-10;2*1-2/h1-5,7-8H,6H2,(H2,14,15);2*1-2H3
InChIKeyFWAYRIFZTRELIV-UHFFFAOYSA-N
MW278.83 g/mol
LogP4.96
Rot. Bonds2

About 4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane

4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane (PubChem CID 155700046) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
PubChem CID155700046
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
SMILESCC.CC.Nc1cc(Cc2cccc(Cl)c2)ccn1
InChIInChI=1S/C12H11ClN2.2C2H6/c13-11-3-1-2-9(7-11)6-10-4-5-15-12(14)8-10;2*1-2/h1-5,7-8H,6H2,(H2,14,15);2*1-2H3
InChIKeyFWAYRIFZTRELIV-UHFFFAOYSA-N
XLogP4.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
CID 54402411
ethane;4-ethylpyridin-2-amine
CID 144736585
2-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 62158182
4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 56992770
4-[2-amino-3-(3-chlorophenyl)sulfanylpropyl]pyridin-2-amine
CID 66146419
5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
CID 66629043
4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine
CID 146128776
4-(2-chloroethyl)pyridin-2-amine
CID 91610191
[3-[(3-chlorophenyl)methyl]phenyl]methyl-dimethylazanium
CID 6947758
4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
4-[[benzyl(methyl)amino]methyl]pyridin-2-amine
CID 62472016
4-(aminomethyl)pyridin-2-amine;methane
CID 158878450

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane?
The IUPAC name of 4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane (CID 155700046) is 4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane.
What is the SMILES notation for 4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane?
The canonical SMILES for 4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane is CC.CC.Nc1cc(Cc2cccc(Cl)c2)ccn1.
What is the InChIKey of 4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane?
The InChIKey is FWAYRIFZTRELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2.2C2H6/c13-11-3-1-2-9(7-11)6-10-4-5-15-12(14)8-10;2*1-2/h1-5,7-8H,6H2,(H2,14,15);2*1-2H3.
What are the key properties of 4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane?
4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane has a molecular weight of 278.83 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane is sourced from PubChem (CID 155700046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).