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

C20H27FN2OS — CID 16673180

IUPACN-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccsc1CN(CCCN1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C20H27FN2OS/c1-17-7-14-25-20(17)16-23(15-18-5-2-3-6-19(18)21)9-4-8-22-10-12-24-13-11-22/h2-3,5-7,14H,4,8-13,15-16H2,1H3
InChIKeyLWSUKNKFXRYKQV-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.92
Rot. Bonds8

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

N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 16673180) has the molecular formula C20H27FN2OS and a molecular weight of 362.51 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID16673180
Molecular FormulaC20H27FN2OS
Molecular Weight362.51 g/mol
Exact Mass362.18
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccsc1CN(CCCN1CCOCC1)Cc1ccccc1F
InChIInChI=1S/C20H27FN2OS/c1-17-7-14-25-20(17)16-23(15-18-5-2-3-6-19(18)21)9-4-8-22-10-12-24-13-11-22/h2-3,5-7,14H,4,8-13,15-16H2,1H3
InChIKeyLWSUKNKFXRYKQV-UHFFFAOYSA-N
XLogP3.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 16673180) is N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cc1ccsc1CN(CCCN1CCOCC1)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is LWSUKNKFXRYKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2OS/c1-17-7-14-25-20(17)16-23(15-18-5-2-3-6-19(18)21)9-4-8-22-10-12-24-13-11-22/h2-3,5-7,14H,4,8-13,15-16H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 362.51 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 16673180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).