1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine

C18H26ClNS — CID 63419605

IUPAC1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26ClNS/c1-2-20-16(8-15-3-4-17(19)21-15)18-9-12-5-13(10-18)7-14(6-12)11-18/h3-4,12-14,16,20H,2,5-11H2,1H3
InChIKeyNAZNKUUZNOUFEL-UHFFFAOYSA-N
MW323.93 g/mol
LogP5.14
Rot. Bonds5

About 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine

1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 63419605) has the molecular formula C18H26ClNS and a molecular weight of 323.93 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID63419605
Molecular FormulaC18H26ClNS
Molecular Weight323.93 g/mol
Exact Mass323.15
IUPAC Name1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H26ClNS/c1-2-20-16(8-15-3-4-17(19)21-15)18-9-12-5-13(10-18)7-14(6-12)11-18/h3-4,12-14,16,20H,2,5-11H2,1H3
InChIKeyNAZNKUUZNOUFEL-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.93
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 63416769
1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63420269
1-[2-(5-chlorothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070614
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
CID 79616113
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004297
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764052
2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 79988041
N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide
CID 22201496
2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105135106
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 55185869
3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 115841552
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine (CID 63419605) is 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is NAZNKUUZNOUFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNS/c1-2-20-16(8-15-3-4-17(19)21-15)18-9-12-5-13(10-18)7-14(6-12)11-18/h3-4,12-14,16,20H,2,5-11H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 323.93 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 63419605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).