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

C20H26F2N2OS — CID 46965371

IUPACN-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccsc1CN(CCCN1CCOCC1)Cc1ccc(F)cc1F
InChIInChI=1S/C20H26F2N2OS/c1-16-5-12-26-20(16)15-24(7-2-6-23-8-10-25-11-9-23)14-17-3-4-18(21)13-19(17)22/h3-5,12-13H,2,6-11,14-15H2,1H3
InChIKeyNBDTXQLNVNTERG-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.06
Rot. Bonds8

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

N-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 46965371) has the molecular formula C20H26F2N2OS and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID46965371
Molecular FormulaC20H26F2N2OS
Molecular Weight380.50 g/mol
Exact Mass380.17
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccsc1CN(CCCN1CCOCC1)Cc1ccc(F)cc1F
InChIInChI=1S/C20H26F2N2OS/c1-16-5-12-26-20(16)15-24(7-2-6-23-8-10-25-11-9-23)14-17-3-4-18(21)13-19(17)22/h3-5,12-13H,2,6-11,14-15H2,1H3
InChIKeyNBDTXQLNVNTERG-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

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

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Related Compounds

3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767744
N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3242576
3-(1-benzothiophen-3-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
CID 54767747
1-(4-fluorophenyl)-N-(2-morpholino-2-(thiophen-3-yl)ethyl)methanesulfonamide
CID 16933201
({1-[2-(2-Fluorophenyl)ethyl]-4-piperidinyl}methyl)methyl(3-thienylmethyl)amine
CID 42457179
1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168269702
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168270792
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168274531
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168276449
1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168289606
1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168291574
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168292390

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 46965371) is N-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cc1ccsc1CN(CCCN1CCOCC1)Cc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is NBDTXQLNVNTERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2OS/c1-16-5-12-26-20(16)15-24(7-2-6-23-8-10-25-11-9-23)14-17-3-4-18(21)13-19(17)22/h3-5,12-13H,2,6-11,14-15H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(2,4-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-[(2,4-difluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 46965371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).