N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

C14H22ClNOS — CID 62720114

IUPACN-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccc(Cl)s2)CCOC1
InChIInChI=1S/C14H22ClNOS/c1-13(2,3)16-9-14(6-7-17-10-14)8-11-4-5-12(15)18-11/h4-5,16H,6-10H2,1-3H3
InChIKeyNICAPAJPUAWGSN-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.74
Rot. Bonds4

About N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62720114) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62720114
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC NameN-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccc(Cl)s2)CCOC1
InChIInChI=1S/C14H22ClNOS/c1-13(2,3)16-9-14(6-7-17-10-14)8-11-4-5-12(15)18-11/h4-5,16H,6-10H2,1-3H3
InChIKeyNICAPAJPUAWGSN-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148560
1-(5-chlorothiophen-2-yl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148724
1-(5-chlorothiophen-2-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149619
1-(5-chlorothiophen-2-yl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149912
4-[(5-Chlorothiophen-2-yl)methyl]-4-fluoro-5-methoxypentan-1-amine
CID 103392670
3-[3-(5-Chlorothiophen-2-yl)-2-fluoro-2-methylpropyl]morpholine
CID 113462373
N-[(2R)-2-(5-chlorothiophen-2-yl)-4-methyl-3-methylidenepentyl]oxan-4-amine
CID 66767371
4-[5-Chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4,6-trimethylpiperidine
CID 167023846
2-Butyl-4-[5-chloro-3-(2-methoxyethyl)thiophen-2-yl]-4,6-dimethylpiperidine
CID 167023854
4-[5-Chloro-3-(2-methoxyethyl)thiophen-2-yl]-2,4-dimethylpiperidine
CID 167023930
1-(5-chlorothiophen-2-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43692572
2-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 55106945

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 62720114) is N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2ccc(Cl)s2)CCOC1.
What is the InChIKey of N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NICAPAJPUAWGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-13(2,3)16-9-14(6-7-17-10-14)8-11-4-5-12(15)18-11/h4-5,16H,6-10H2,1-3H3.
What are the key properties of N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.86 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62720114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).