N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine

C16H20ClNOS — CID 115954535

IUPACN-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Cl)c1OCCc1ccsc1
InChIInChI=1S/C16H20ClNOS/c1-12(2)18-10-14-4-3-5-15(17)16(14)19-8-6-13-7-9-20-11-13/h3-5,7,9,11-12,18H,6,8,10H2,1-2H3
InChIKeyVKCFKZONRUPRFC-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.52
Rot. Bonds7

About N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine

N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 115954535) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine
PubChem CID115954535
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC NameN-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(Cl)c1OCCc1ccsc1
InChIInChI=1S/C16H20ClNOS/c1-12(2)18-10-14-4-3-5-15(17)16(14)19-8-6-13-7-9-20-11-13/h3-5,7,9,11-12,18H,6,8,10H2,1-2H3
InChIKeyVKCFKZONRUPRFC-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methanamine
CID 112607618
N-[[3-chloro-2-(2-propan-2-yloxyethoxy)phenyl]methyl]propan-2-amine
CID 112610346
1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608676
6-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702816
N-[[3-chloro-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112610339
N-[[3-chloro-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]propan-2-amine
CID 116615190
N-[[3-chloro-2-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 115954574
3-[2-[2-(bromomethyl)-6-methylphenoxy]ethyl]thiophene
CID 112614183
N-[[3-methyl-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-1-amine
CID 115952763
N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954081
N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 115952890
N-[[3-chloro-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 115954557

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine (CID 115954535) is N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(Cl)c1OCCc1ccsc1.
What is the InChIKey of N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is VKCFKZONRUPRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-12(2)18-10-14-4-3-5-15(17)16(14)19-8-6-13-7-9-20-11-13/h3-5,7,9,11-12,18H,6,8,10H2,1-2H3.
What are the key properties of N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine?
N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 309.86 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 115954535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).