4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine

C17H22ClNOS — CID 105150171

IUPAC4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine
SMILESCCNC(CCc1cccs1)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H22ClNOS/c1-3-19-17(10-9-16-8-5-11-21-16)13(2)20-15-7-4-6-14(18)12-15/h4-8,11-13,17,19H,3,9-10H2,1-2H3
InChIKeyKOVPYBDGVZVLMZ-UHFFFAOYSA-N
MW323.89 g/mol
LogP4.78
Rot. Bonds8

About 4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine

4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine (PubChem CID 105150171) has the molecular formula C17H22ClNOS and a molecular weight of 323.89 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine
PubChem CID105150171
Molecular FormulaC17H22ClNOS
Molecular Weight323.89 g/mol
Exact Mass323.11
IUPAC Name4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine
SMILESCCNC(CCc1cccs1)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C17H22ClNOS/c1-3-19-17(10-9-16-8-5-11-21-16)13(2)20-15-7-4-6-14(18)12-15/h4-8,11-13,17,19H,3,9-10H2,1-2H3
InChIKeyKOVPYBDGVZVLMZ-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555
3-(3-chlorophenoxy)-N-ethyl-1-phenylbutan-2-amine
CID 105084432
3-(3-chlorophenoxy)-N-ethyl-1-propoxybutan-2-amine
CID 105165268
1-(3-chlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 105150152
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
4-(3-chlorophenoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 105163546
1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979
3-(3-chlorophenoxy)-N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105159384
2-(3-chlorophenoxy)-N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 105184925
2-(3-chlorophenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 2970792
2-(3-chlorophenoxy)-1-cyclopentyl-N-ethylpropan-1-amine
CID 105080697
2-(3-chlorophenoxy)-N-propyloct-7-yn-3-amine
CID 105179486

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine?
The IUPAC name of 4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine (CID 105150171) is 4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine.
What is the SMILES notation for 4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine?
The canonical SMILES for 4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine is CCNC(CCc1cccs1)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine?
The InChIKey is KOVPYBDGVZVLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNOS/c1-3-19-17(10-9-16-8-5-11-21-16)13(2)20-15-7-4-6-14(18)12-15/h4-8,11-13,17,19H,3,9-10H2,1-2H3.
What are the key properties of 4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine?
4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine has a molecular weight of 323.89 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine is sourced from PubChem (CID 105150171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).