N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine

C15H22F2N2O — CID 79093467

IUPACN-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C1CN(C)CCO1
InChIInChI=1S/C15H22F2N2O/c1-3-6-18-15(14-10-19(2)7-8-20-14)11-4-5-12(16)13(17)9-11/h4-5,9,14-15,18H,3,6-8,10H2,1-2H3
InChIKeyRFVLIMFCPWKXDB-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.34
Rot. Bonds5

About N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine

N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 79093467) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID79093467
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C1CN(C)CCO1
InChIInChI=1S/C15H22F2N2O/c1-3-6-18-15(14-10-19(2)7-8-20-14)11-4-5-12(16)13(17)9-11/h4-5,9,14-15,18H,3,6-8,10H2,1-2H3
InChIKeyRFVLIMFCPWKXDB-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092700
N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79703912
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092986
N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093560
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[(4-methylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 79093764
N-[(1-ethylpyrazol-4-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093371
N-[2-(2,5-dichlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79095159
N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 114729699
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79093754
2-(3,4-difluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 82922459

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine (CID 79093467) is N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(F)c1)C1CN(C)CCO1.
What is the InChIKey of N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is RFVLIMFCPWKXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-3-6-18-15(14-10-19(2)7-8-20-14)11-4-5-12(16)13(17)9-11/h4-5,9,14-15,18H,3,6-8,10H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 284.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79093467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).