N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine

C16H21ClN2OS — CID 62321402

IUPACN-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(OCCc2cccs2)ccc1Cl
InChIInChI=1S/C16H21ClN2OS/c1-12(2)10-18-11-15-14(17)5-6-16(19-15)20-8-7-13-4-3-9-21-13/h3-6,9,12,18H,7-8,10-11H2,1-2H3
InChIKeyMRQUEWHJPFVNDB-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.16
Rot. Bonds8

About N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62321402) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62321402
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(OCCc2cccs2)ccc1Cl
InChIInChI=1S/C16H21ClN2OS/c1-12(2)10-18-11-15-14(17)5-6-16(19-15)20-8-7-13-4-3-9-21-13/h3-6,9,12,18H,7-8,10-11H2,1-2H3
InChIKeyMRQUEWHJPFVNDB-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62321226
N-[[5-chloro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928581
N-[(3-chloro-6-heptoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63488450
N-[[3-chloro-6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296834
N-[[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115942738
N-[[3-fluoro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391410
N-[[3-bromo-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63776384
N-[[3-chloro-6-(cyclopentylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 66324406
N-[[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62386003
2-methyl-N-[[6-methyl-4-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253361
N-[[5-chloro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928566
N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288591

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62321402) is N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(OCCc2cccs2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is MRQUEWHJPFVNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-12(2)10-18-11-15-14(17)5-6-16(19-15)20-8-7-13-4-3-9-21-13/h3-6,9,12,18H,7-8,10-11H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 324.88 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62321402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).