N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine

C16H20ClNOS — CID 63500315

IUPACN-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Cl)ccc1OCc1cccs1
InChIInChI=1S/C16H20ClNOS/c1-3-8-18-12(2)15-10-13(17)6-7-16(15)19-11-14-5-4-9-20-14/h4-7,9-10,12,18H,3,8,11H2,1-2H3
InChIKeyGTCPFHTXJNIXJG-UHFFFAOYSA-N
MW309.86 g/mol
LogP5.04
Rot. Bonds7

About N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine

N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 63500315) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine
PubChem CID63500315
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC NameN-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(Cl)ccc1OCc1cccs1
InChIInChI=1S/C16H20ClNOS/c1-3-8-18-12(2)15-10-13(17)6-7-16(15)19-11-14-5-4-9-20-14/h4-7,9-10,12,18H,3,8,11H2,1-2H3
InChIKeyGTCPFHTXJNIXJG-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.86
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62074246
N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62074068
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]-N-methylethanamine
CID 63775283
N-[1-[5-chloro-2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 63500138
2-[4-chloro-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 62074759
1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 60882008
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
CID 55031304
N-[[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 2941503
N-[1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 115978893
1-[5-chloro-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63775282
1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 62074239
1-[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]-N-methylethanamine
CID 62073711

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine (CID 63500315) is N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cc(Cl)ccc1OCc1cccs1.
What is the InChIKey of N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is GTCPFHTXJNIXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-3-8-18-12(2)15-10-13(17)6-7-16(15)19-11-14-5-4-9-20-14/h4-7,9-10,12,18H,3,8,11H2,1-2H3.
What are the key properties of N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine?
N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 309.86 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-2-(thiophen-2-ylmethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63500315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).