N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C20H26F2N2OS — CID 46965376

IUPACN-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccsc1CN(CCCN1CCOCC1)Cc1cccc(F)c1F
InChIInChI=1S/C20H26F2N2OS/c1-16-6-13-26-19(16)15-24(8-3-7-23-9-11-25-12-10-23)14-17-4-2-5-18(21)20(17)22/h2,4-6,13H,3,7-12,14-15H2,1H3
InChIKeyLPORQEYGYPXPJM-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.06
Rot. Bonds8

About N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 46965376) has the molecular formula C20H26F2N2OS and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID46965376
Molecular FormulaC20H26F2N2OS
Molecular Weight380.50 g/mol
Exact Mass380.17
IUPAC NameN-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccsc1CN(CCCN1CCOCC1)Cc1cccc(F)c1F
InChIInChI=1S/C20H26F2N2OS/c1-16-6-13-26-19(16)15-24(8-3-7-23-9-11-25-12-10-23)14-17-4-2-5-18(21)20(17)22/h2,4-6,13H,3,7-12,14-15H2,1H3
InChIKeyLPORQEYGYPXPJM-UHFFFAOYSA-N
XLogP4.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 46965376) is N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cc1ccsc1CN(CCCN1CCOCC1)Cc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is LPORQEYGYPXPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2OS/c1-16-6-13-26-19(16)15-24(8-3-7-23-9-11-25-12-10-23)14-17-4-2-5-18(21)20(17)22/h2,4-6,13H,3,7-12,14-15H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 380.50 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 46965376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).