N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine

C15H24ClNOS — CID 64739740

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine
SMILESCC1CCC(OCCNCc2ccc(Cl)s2)CC1C
InChIInChI=1S/C15H24ClNOS/c1-11-3-4-13(9-12(11)2)18-8-7-17-10-14-5-6-15(16)19-14/h5-6,11-13,17H,3-4,7-10H2,1-2H3
InChIKeyIDYHWRYSMBDIAS-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.33
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine (PubChem CID 64739740) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine
PubChem CID64739740
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine
SMILESCC1CCC(OCCNCc2ccc(Cl)s2)CC1C
InChIInChI=1S/C15H24ClNOS/c1-11-3-4-13(9-12(11)2)18-8-7-17-10-14-5-6-15(16)19-14/h5-6,11-13,17H,3-4,7-10H2,1-2H3
InChIKeyIDYHWRYSMBDIAS-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503
2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 65023787
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114540403
trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 94428351
N-[(5-chlorothiophen-2-yl)methyl]-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62560300
N-[2-(3,4-dimethylcyclohexyl)oxyethyl]aniline
CID 64739736
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62554893
N-[(5-chlorothiophen-2-yl)methyl]-2-phenylmethoxyethanamine
CID 62567648
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine
CID 114421555
N-[(5-chlorothiophen-2-yl)methyl]-2-diethoxyphosphorylethanamine
CID 112742514

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine (CID 64739740) is N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine is CC1CCC(OCCNCc2ccc(Cl)s2)CC1C.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine?
The InChIKey is IDYHWRYSMBDIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-11-3-4-13(9-12(11)2)18-8-7-17-10-14-5-6-15(16)19-14/h5-6,11-13,17H,3-4,7-10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine has a molecular weight of 301.88 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine is sourced from PubChem (CID 64739740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).