1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine

C17H27FN2O — CID 62643747

IUPAC1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCOC(C)C1)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O/c1-3-9-19-17(15-4-6-16(18)7-5-15)8-10-20-11-12-21-14(2)13-20/h4-7,14,17,19H,3,8-13H2,1-2H3
InChIKeyBPJVRIHFRDOKEX-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.98
Rot. Bonds7

About 1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine

1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine (PubChem CID 62643747) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine
PubChem CID62643747
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCN1CCOC(C)C1)c1ccc(F)cc1
InChIInChI=1S/C17H27FN2O/c1-3-9-19-17(15-4-6-16(18)7-5-15)8-10-20-11-12-21-14(2)13-20/h4-7,14,17,19H,3,8-13H2,1-2H3
InChIKeyBPJVRIHFRDOKEX-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-morpholin-4-yl-N-propylpropan-1-amine
CID 62643389
N-ethyl-1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62644087
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314
1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195499
1-(4-chlorophenyl)-3-(1,4-oxazepan-4-yl)-N-propylpropan-1-amine
CID 62972105
3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 79184402
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 115415645
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502166
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43494684
N-ethyl-3-(3-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645008
1-(4-fluorophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62645375

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine (CID 62643747) is 1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine is CCCNC(CCN1CCOC(C)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine?
The InChIKey is BPJVRIHFRDOKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-9-19-17(15-4-6-16(18)7-5-15)8-10-20-11-12-21-14(2)13-20/h4-7,14,17,19H,3,8-13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine?
1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methylmorpholin-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62643747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).