1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine

C18H24N2OS — CID 119126800

IUPAC1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
SMILESCC(CN1CCOCC1)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H24N2OS/c1-15(14-20-9-11-21-12-10-20)19-13-17-7-8-18(22-17)16-5-3-2-4-6-16/h2-8,15,19H,9-14H2,1H3
InChIKeyAPXVZBUSQNECNQ-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.23
Rot. Bonds6

About 1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine

1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 119126800) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
PubChem CID119126800
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
SMILESCC(CN1CCOCC1)NCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C18H24N2OS/c1-15(14-20-9-11-21-12-10-20)19-13-17-7-8-18(22-17)16-5-3-2-4-6-16/h2-8,15,19H,9-14H2,1H3
InChIKeyAPXVZBUSQNECNQ-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-N-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 119108046
2-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222862
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
3-[(5-phenylthiophen-2-yl)methylamino]butan-1-ol
CID 78998187
1-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222571
1-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 62699740
3-ethyl-N-[(5-phenylthiophen-2-yl)methyl]pentan-2-amine
CID 63843620
N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine
CID 116788942
1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine
CID 79222698
1-methoxy-3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butan-2-amine
CID 65047475
N-[(5-ethylfuran-2-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 62345255
N-[[2-(difluoromethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675802

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine (CID 119126800) is 1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine is CC(CN1CCOCC1)NCc1ccc(-c2ccccc2)s1.
What is the InChIKey of 1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is APXVZBUSQNECNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-15(14-20-9-11-21-12-10-20)19-13-17-7-8-18(22-17)16-5-3-2-4-6-16/h2-8,15,19H,9-14H2,1H3.
What are the key properties of 1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine?
1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 316.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 119126800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).