1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine

C16H28ClNOS — CID 116725952

IUPAC1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Cl)s1)C(OCC)C(C)(C)C
InChIInChI=1S/C16H28ClNOS/c1-6-10-18-13(11-12-8-9-14(17)20-12)15(19-7-2)16(3,4)5/h8-9,13,15,18H,6-7,10-11H2,1-5H3
InChIKeyOPZOCJKUDMTJSA-UHFFFAOYSA-N
MW317.93 g/mol
LogP4.76
Rot. Bonds8

About 1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine

1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine (PubChem CID 116725952) has the molecular formula C16H28ClNOS and a molecular weight of 317.93 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine
PubChem CID116725952
Molecular FormulaC16H28ClNOS
Molecular Weight317.93 g/mol
Exact Mass317.16
IUPAC Name1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(Cl)s1)C(OCC)C(C)(C)C
InChIInChI=1S/C16H28ClNOS/c1-6-10-18-13(11-12-8-9-14(17)20-12)15(19-7-2)16(3,4)5/h8-9,13,15,18H,6-7,10-11H2,1-5H3
InChIKeyOPZOCJKUDMTJSA-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.93
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103311839
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
CID 63560615
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053736
1-(5-bromothiophen-2-yl)-3-ethoxy-N-propylpentan-2-amine
CID 116717090
3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116726057
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
CID 79616113
1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
CID 115841697
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634
5-ethoxy-6,6-dimethyl-N-propylhept-1-en-4-amine
CID 116725935
[3-(5-chlorothiophen-2-yl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279353
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 63416020

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine (CID 116725952) is 1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine is CCCNC(Cc1ccc(Cl)s1)C(OCC)C(C)(C)C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine?
The InChIKey is OPZOCJKUDMTJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClNOS/c1-6-10-18-13(11-12-8-9-14(17)20-12)15(19-7-2)16(3,4)5/h8-9,13,15,18H,6-7,10-11H2,1-5H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine?
1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine has a molecular weight of 317.93 g/mol, XLogP of 4.76, 8 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)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 116725952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).