1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine

C12H20ClNOS — CID 116758497

IUPAC1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
SMILESCCOC(C)(CC)C(N)Cc1ccc(Cl)s1
InChIInChI=1S/C12H20ClNOS/c1-4-12(3,15-5-2)10(14)8-9-6-7-11(13)16-9/h6-7,10H,4-5,8,14H2,1-3H3
InChIKeyVDIBYKLUNXZYBK-UHFFFAOYSA-N
MW261.82 g/mol
LogP3.48
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine

1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine (PubChem CID 116758497) has the molecular formula C12H20ClNOS and a molecular weight of 261.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
PubChem CID116758497
Molecular FormulaC12H20ClNOS
Molecular Weight261.82 g/mol
Exact Mass261.10
IUPAC Name1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
SMILESCCOC(C)(CC)C(N)Cc1ccc(Cl)s1
InChIInChI=1S/C12H20ClNOS/c1-4-12(3,15-5-2)10(14)8-9-6-7-11(13)16-9/h6-7,10H,4-5,8,14H2,1-3H3
InChIKeyVDIBYKLUNXZYBK-UHFFFAOYSA-N
XLogP3.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758429
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79062445
[1-(5-chlorothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-yl]hydrazine
CID 105275195
3-ethoxy-3-methyl-1-thiophen-3-ylpentan-2-amine
CID 116758590
1-(4-bromophenyl)-3-ethoxy-3-methylpentan-2-amine
CID 116758609
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
2-(5-chlorothiophen-2-yl)-1-(4-ethylphenyl)ethanamine
CID 55095727
1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine
CID 105135317
4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine
CID 116758668
1-(5-ethylthiophen-2-yl)-3,3-dimethylpentan-2-amine
CID 115842630

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine (CID 116758497) is 1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine is CCOC(C)(CC)C(N)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine?
The InChIKey is VDIBYKLUNXZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNOS/c1-4-12(3,15-5-2)10(14)8-9-6-7-11(13)16-9/h6-7,10H,4-5,8,14H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine?
1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine has a molecular weight of 261.82 g/mol, XLogP of 3.48, 6 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-3-methylpentan-2-amine is sourced from PubChem (CID 116758497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).