N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine

C18H17ClN2OS — CID 141084653

IUPACN-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine
SMILESClc1cc(CNCCc2cccs2)cnc1Oc1ccccc1
InChIInChI=1S/C18H17ClN2OS/c19-17-11-14(12-20-9-8-16-7-4-10-23-16)13-21-18(17)22-15-5-2-1-3-6-15/h1-7,10-11,13,20H,8-9,12H2
InChIKeyHHKDAOSVUQNGGI-UHFFFAOYSA-N
MW344.87 g/mol
LogP4.92
Rot. Bonds7

About N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine

N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 141084653) has the molecular formula C18H17ClN2OS and a molecular weight of 344.87 g/mol. Its IUPAC name is N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine
PubChem CID141084653
Molecular FormulaC18H17ClN2OS
Molecular Weight344.87 g/mol
Exact Mass344.08
IUPAC NameN-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine
SMILESClc1cc(CNCCc2cccs2)cnc1Oc1ccccc1
InChIInChI=1S/C18H17ClN2OS/c19-17-11-14(12-20-9-8-16-7-4-10-23-16)13-21-18(17)22-15-5-2-1-3-6-15/h1-7,10-11,13,20H,8-9,12H2
InChIKeyHHKDAOSVUQNGGI-UHFFFAOYSA-N
XLogP4.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
N-[[5-chloro-6-(4-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62295927
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
CID 68746402
N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine
CID 39374683
6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile
CID 58878931
N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 115767520
N-benzyl-3-thiophen-2-ylpropan-1-amine
CID 83456686
N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylethanamine;methyl formate
CID 143603679
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 55058464
2-phenoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63776386

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine (CID 141084653) is N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine is Clc1cc(CNCCc2cccs2)cnc1Oc1ccccc1.
What is the InChIKey of N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is HHKDAOSVUQNGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS/c19-17-11-14(12-20-9-8-16-7-4-10-23-16)13-21-18(17)22-15-5-2-1-3-6-15/h1-7,10-11,13,20H,8-9,12H2.
What are the key properties of N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine?
N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 344.87 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 141084653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).