N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine

C15H26N2OS — CID 65244123

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCc1cc(CNCC2CN(C(C)C)CCO2)sc1C
InChIInChI=1S/C15H26N2OS/c1-11(2)17-5-6-18-14(10-17)8-16-9-15-7-12(3)13(4)19-15/h7,11,14,16H,5-6,8-10H2,1-4H3
InChIKeyUWLRGXPNZPLKBF-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.56
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine

N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine (PubChem CID 65244123) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
PubChem CID65244123
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCc1cc(CNCC2CN(C(C)C)CCO2)sc1C
InChIInChI=1S/C15H26N2OS/c1-11(2)17-5-6-18-14(10-17)8-16-9-15-7-12(3)13(4)19-15/h7,11,14,16H,5-6,8-10H2,1-4H3
InChIKeyUWLRGXPNZPLKBF-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64535311
N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64681381
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64533307
3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 64535519
(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 81374031
2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
CID 64535121
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 106325494
2-(2,4-dichlorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535306
2-cyclopentyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535316
2-fluoro-4-methyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]aniline
CID 64533093

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine (CID 65244123) is N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine is Cc1cc(CNCC2CN(C(C)C)CCO2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The InChIKey is UWLRGXPNZPLKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-11(2)17-5-6-18-14(10-17)8-16-9-15-7-12(3)13(4)19-15/h7,11,14,16H,5-6,8-10H2,1-4H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine has a molecular weight of 282.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine is sourced from PubChem (CID 65244123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).