1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine

C15H23FN2O — CID 78997863

IUPAC1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCC(NCC1CN(C)CCO1)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-3-15(12-4-6-13(16)7-5-12)17-10-14-11-18(2)8-9-19-14/h4-7,14-15,17H,3,8-11H2,1-2H3
InChIKeyXTRWKWNANKEGMI-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.20
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine

1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 78997863) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID78997863
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCC(NCC1CN(C)CCO1)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-3-15(12-4-6-13(16)7-5-12)17-10-14-11-18(2)8-9-19-14/h4-7,14-15,17H,3,8-11H2,1-2H3
InChIKeyXTRWKWNANKEGMI-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine
CID 95291809
1-(2-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 112634306
1-(2-methoxyphenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79083025
1-(4-fluorophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]ethanol
CID 78945331
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 95291844
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 138010008
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347515
N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 79171502
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851
(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327850

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine (CID 78997863) is 1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine is CCC(NCC1CN(C)CCO1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is XTRWKWNANKEGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-15(12-4-6-13(16)7-5-12)17-10-14-11-18(2)8-9-19-14/h4-7,14-15,17H,3,8-11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine?
1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 266.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 78997863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).