N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine

C15H24ClNOS — CID 62905383

IUPACN-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccc(Cl)s2)CCOCC1
InChIInChI=1S/C15H24ClNOS/c1-14(2,3)17-11-15(6-8-18-9-7-15)10-12-4-5-13(16)19-12/h4-5,17H,6-11H2,1-3H3
InChIKeyHHHPBUZGRLTDSL-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.13
Rot. Bonds4

About N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62905383) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62905383
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC NameN-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(Cc2ccc(Cl)s2)CCOCC1
InChIInChI=1S/C15H24ClNOS/c1-14(2,3)17-11-15(6-8-18-9-7-15)10-12-4-5-13(16)19-12/h4-5,17H,6-11H2,1-3H3
InChIKeyHHHPBUZGRLTDSL-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine (CID 62905383) is N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(Cc2ccc(Cl)s2)CCOCC1.
What is the InChIKey of N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HHHPBUZGRLTDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-14(2,3)17-11-15(6-8-18-9-7-15)10-12-4-5-13(16)19-12/h4-5,17H,6-11H2,1-3H3.
What are the key properties of N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 301.88 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-chlorothiophen-2-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62905383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).