1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine

C12H20ClNOS — CID 105135378

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
SMILESCCNC(COC(C)C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H20ClNOS/c1-4-14-10(8-15-9(2)3)7-11-5-6-12(13)16-11/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyRNOUWCBOSAYGRT-UHFFFAOYSA-N
MW261.82 g/mol
LogP3.35
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine

1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine (PubChem CID 105135378) has the molecular formula C12H20ClNOS and a molecular weight of 261.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
PubChem CID105135378
Molecular FormulaC12H20ClNOS
Molecular Weight261.82 g/mol
Exact Mass261.10
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
SMILESCCNC(COC(C)C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H20ClNOS/c1-4-14-10(8-15-9(2)3)7-11-5-6-12(13)16-11/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyRNOUWCBOSAYGRT-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105135075
1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 65128398
N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574610
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115841681
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
CID 79616113
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 62603564
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103168454
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 66139408
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 62604502
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine
CID 62604111

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine (CID 105135378) is 1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine is CCNC(COC(C)C)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine?
The InChIKey is RNOUWCBOSAYGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNOS/c1-4-14-10(8-15-9(2)3)7-11-5-6-12(13)16-11/h5-6,9-10,14H,4,7-8H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine?
1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine has a molecular weight of 261.82 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105135378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).