N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine

C16H20ClNOS — CID 107558732

IUPACN-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1ccc(Cl)c(OCc2ccc(CNC(C)C)s2)c1
InChIInChI=1S/C16H20ClNOS/c1-11(2)18-9-13-5-6-14(20-13)10-19-16-8-12(3)4-7-15(16)17/h4-8,11,18H,9-10H2,1-3H3
InChIKeyWJFWZSSTBYPPKI-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.79
Rot. Bonds6

About N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine

N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine (PubChem CID 107558732) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
PubChem CID107558732
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC NameN-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
SMILESCc1ccc(Cl)c(OCc2ccc(CNC(C)C)s2)c1
InChIInChI=1S/C16H20ClNOS/c1-11(2)18-9-13-5-6-14(20-13)10-19-16-8-12(3)4-7-15(16)17/h4-8,11,18H,9-10H2,1-3H3
InChIKeyWJFWZSSTBYPPKI-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[(4-bromo-2-chlorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558694
N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558731
N-[[5-[(2-bromo-4-fluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558390
N-[[5-[(2-bromo-4-methoxyphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559265
N-[[5-[(2,5-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558402
N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107559425
N-[[5-[(2-bromo-4-methylphenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558674
N-[[5-[(4-fluorophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558537
2-bromo-5-[(2-chloro-4-methylphenoxy)methyl]thiophene
CID 63457739
N-[[5-[[2-[(E)-prop-1-enyl]phenoxy]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557957
N-[[5-[(3-bromophenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558607
N-[[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82422922

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine (CID 107558732) is N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine is Cc1ccc(Cl)c(OCc2ccc(CNC(C)C)s2)c1.
What is the InChIKey of N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
The InChIKey is WJFWZSSTBYPPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-11(2)18-9-13-5-6-14(20-13)10-19-16-8-12(3)4-7-15(16)17/h4-8,11,18H,9-10H2,1-3H3.
What are the key properties of N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine?
N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine has a molecular weight of 309.86 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107558732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).