[3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine

C14H20ClFN2O — CID 81159150

IUPAC[3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine
SMILESCCCN1CCOC(CN)C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H20ClFN2O/c1-2-5-18-6-7-19-13(9-17)14(18)10-3-4-12(16)11(15)8-10/h3-4,8,13-14H,2,5-7,9,17H2,1H3
InChIKeyXQMAQLQGXJLPAJ-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.59
Rot. Bonds4

About [3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine

[3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine (PubChem CID 81159150) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is [3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine
PubChem CID81159150
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name[3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine
SMILESCCCN1CCOC(CN)C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H20ClFN2O/c1-2-5-18-6-7-19-13(9-17)14(18)10-3-4-12(16)11(15)8-10/h3-4,8,13-14H,2,5-7,9,17H2,1H3
InChIKeyXQMAQLQGXJLPAJ-UHFFFAOYSA-N
XLogP2.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 81160749
1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine
CID 114866612
[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine
CID 115529030
(2R,3S)-2-(4-chloro-3-fluorophenyl)-1-propylpyrrolidin-3-amine
CID 178196605
2-(3,4-difluorophenyl)-1-propylpyrrolidin-3-ol
CID 70310452
[3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
CID 114454774
[3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
CID 114866618
2-(3-chloro-4-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 81159445
2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315238
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
7-(3-chloro-4-fluorophenyl)-6-methyl-1,4-oxazepane-4-sulfonamide
CID 123790451

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine?
The IUPAC name of [3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine (CID 81159150) is [3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine.
What is the SMILES notation for [3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine?
The canonical SMILES for [3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine is CCCN1CCOC(CN)C1c1ccc(F)c(Cl)c1.
What is the InChIKey of [3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine?
The InChIKey is XQMAQLQGXJLPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-2-5-18-6-7-19-13(9-17)14(18)10-3-4-12(16)11(15)8-10/h3-4,8,13-14H,2,5-7,9,17H2,1H3.
What are the key properties of [3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine?
[3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine has a molecular weight of 286.78 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine is sourced from PubChem (CID 81159150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).