4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine

C14H17ClN2S — CID 105067372

IUPAC4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine
SMILESCC(C)N(Cc1cccs1)c1cnccc1CCl
InChIInChI=1S/C14H17ClN2S/c1-11(2)17(10-13-4-3-7-18-13)14-9-16-6-5-12(14)8-15/h3-7,9,11H,8,10H2,1-2H3
InChIKeyYUNBOIWNBDOBED-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.30
Rot. Bonds5

About 4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine

4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine (PubChem CID 105067372) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine
PubChem CID105067372
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine
SMILESCC(C)N(Cc1cccs1)c1cnccc1CCl
InChIInChI=1S/C14H17ClN2S/c1-11(2)17(10-13-4-3-7-18-13)14-9-16-6-5-12(14)8-15/h3-7,9,11H,8,10H2,1-2H3
InChIKeyYUNBOIWNBDOBED-UHFFFAOYSA-N
XLogP4.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine 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

N-propan-2-yl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073477
3-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81246160
5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 83184144
4-(chloromethyl)-N,2-di(propan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 62087440
4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 105067521
[3-[methyl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
CID 105066711
4-(chloromethyl)-2-nitro-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 63540665
5-N-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-diamine
CID 104533407
2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889
N-ethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073508
2-(aminomethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)aniline
CID 107926098

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine (CID 105067372) is 4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine is CC(C)N(Cc1cccs1)c1cnccc1CCl.
What is the InChIKey of 4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine?
The InChIKey is YUNBOIWNBDOBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-11(2)17(10-13-4-3-7-18-13)14-9-16-6-5-12(14)8-15/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine?
4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine has a molecular weight of 280.82 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 105067372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).