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

C17H24ClNS — CID 63416769

IUPAC1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24ClNS/c1-19-15(7-14-2-3-16(18)20-14)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,11-13,15,19H,4-10H2,1H3
InChIKeyLEHNMGDWXBIGOU-UHFFFAOYSA-N
MW309.91 g/mol
LogP4.75
Rot. Bonds4

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

1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine (PubChem CID 63416769) has the molecular formula C17H24ClNS and a molecular weight of 309.91 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
PubChem CID63416769
Molecular FormulaC17H24ClNS
Molecular Weight309.91 g/mol
Exact Mass309.13
IUPAC Name1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24ClNS/c1-19-15(7-14-2-3-16(18)20-14)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,11-13,15,19H,4-10H2,1H3
InChIKeyLEHNMGDWXBIGOU-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.91
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 63419605
1-(1-adamantyl)-2-(furan-3-yl)-N-methylethanamine
CID 83175022
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763846
N-[1-(1-adamantyl)propyl]-5-chlorothiophene-2-sulfonamide
CID 22201496
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334443
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine
CID 115841703
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004297
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
CID 79616113
2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115841409
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115841757
2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 65393739

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine (CID 63416769) is 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine is CNC(Cc1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine?
The InChIKey is LEHNMGDWXBIGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNS/c1-19-15(7-14-2-3-16(18)20-14)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,11-13,15,19H,4-10H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine?
1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-methylethanamine has a molecular weight of 309.91 g/mol, XLogP of 4.75, 4 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-methylethanamine is sourced from PubChem (CID 63416769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).