N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

C16H14ClFN2S — CID 64829615

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(NCc1ccc(F)c(Cl)c1)c1cnc2ccsc2c1
InChIInChI=1S/C16H14ClFN2S/c1-10(12-7-16-15(20-9-12)4-5-21-16)19-8-11-2-3-14(18)13(17)6-11/h2-7,9-10,19H,8H2,1H3
InChIKeyBFWDSDKNNBZBDF-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.94
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 64829615) has the molecular formula C16H14ClFN2S and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID64829615
Molecular FormulaC16H14ClFN2S
Molecular Weight320.82 g/mol
Exact Mass320.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(NCc1ccc(F)c(Cl)c1)c1cnc2ccsc2c1
InChIInChI=1S/C16H14ClFN2S/c1-10(12-7-16-15(20-9-12)4-5-21-16)19-8-11-2-3-14(18)13(17)6-11/h2-7,9-10,19H,8H2,1H3
InChIKeyBFWDSDKNNBZBDF-UHFFFAOYSA-N
XLogP4.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64828768
2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103040348
N-[(3,5-difluoro-4-morpholin-4-ylphenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 166237194
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990503
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine
CID 64830568
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405552
methyl N-[4-[[[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]amino]methyl]phenyl]carbamate
CID 97230239
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350945
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
CID 64830758
2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
CID 64828783

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 64829615) is N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is CC(NCc1ccc(F)c(Cl)c1)c1cnc2ccsc2c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is BFWDSDKNNBZBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2S/c1-10(12-7-16-15(20-9-12)4-5-21-16)19-8-11-2-3-14(18)13(17)6-11/h2-7,9-10,19H,8H2,1H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 320.82 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 64829615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).