1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine

C16H20ClNOS — CID 107359682

IUPAC1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOc1ccccc1)c1sccc1Cl
InChIInChI=1S/C16H20ClNOS/c1-2-10-18-15(16-14(17)9-12-20-16)8-11-19-13-6-4-3-5-7-13/h3-7,9,12,15,18H,2,8,10-11H2,1H3
InChIKeySXDPRIMRDNRXQX-UHFFFAOYSA-N
MW309.86 g/mol
LogP4.91
Rot. Bonds8

About 1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine

1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine (PubChem CID 107359682) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine
PubChem CID107359682
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOc1ccccc1)c1sccc1Cl
InChIInChI=1S/C16H20ClNOS/c1-2-10-18-15(16-14(17)9-12-20-16)8-11-19-13-6-4-3-5-7-13/h3-7,9,12,15,18H,2,8,10-11H2,1H3
InChIKeySXDPRIMRDNRXQX-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107361780
1-(5-methylthiophen-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 65104437
N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80529572
1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
CID 107359701
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
1-(3-chlorothiophen-2-yl)-N-propylpent-3-yn-1-amine
CID 115819887
N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 107359767
N-[1-(3-chlorothiophen-2-yl)-2-propylsulfanylethyl]propan-1-amine
CID 107359771
1-(3-chlorothiophen-2-yl)-2-phenyl-N-propylbutan-1-amine
CID 80529506
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
[1-(3-methylthiophen-2-yl)-3-phenoxypropyl]hydrazine
CID 105191453

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine (CID 107359682) is 1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine is CCCNC(CCOc1ccccc1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine?
The InChIKey is SXDPRIMRDNRXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNOS/c1-2-10-18-15(16-14(17)9-12-20-16)8-11-19-13-6-4-3-5-7-13/h3-7,9,12,15,18H,2,8,10-11H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine?
1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine has a molecular weight of 309.86 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-3-phenoxy-N-propylpropan-1-amine is sourced from PubChem (CID 107359682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).