N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine

C15H18ClNOS — CID 79420610

IUPACN-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine
SMILESCc1ccc(OCC(C)NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C15H18ClNOS/c1-11-3-5-14(6-4-11)18-9-12(2)17-8-15-7-13(16)10-19-15/h3-7,10,12,17H,8-9H2,1-2H3
InChIKeyRKKHXQDWZRPGES-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.27
Rot. Bonds6

About N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine

N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine (PubChem CID 79420610) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine
PubChem CID79420610
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine
SMILESCc1ccc(OCC(C)NCc2cc(Cl)cs2)cc1
InChIInChI=1S/C15H18ClNOS/c1-11-3-5-14(6-4-11)18-9-12(2)17-8-15-7-13(16)10-19-15/h3-7,10,12,17H,8-9H2,1-2H3
InChIKeyRKKHXQDWZRPGES-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-1-ethoxypropan-2-amine
CID 79420004
N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 61167924
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 79427378
N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 102615548
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452448
N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 63452789
(E)-4-chloro-N-[1-(4-methylphenoxy)propan-2-yl]but-2-en-1-amine
CID 81430543
(1R)-1-(4-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81352477
1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine
CID 61168691
2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
N-[(4-chlorothiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 79419831
N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine (CID 79420610) is N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine is Cc1ccc(OCC(C)NCc2cc(Cl)cs2)cc1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine?
The InChIKey is RKKHXQDWZRPGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-11-3-5-14(6-4-11)18-9-12(2)17-8-15-7-13(16)10-19-15/h3-7,10,12,17H,8-9H2,1-2H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine?
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine has a molecular weight of 295.84 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methylphenoxy)propan-2-amine is sourced from PubChem (CID 79420610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).