[3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine

C14H18ClFN2O — CID 114454774

IUPAC[3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
SMILESNCC1OCCN(C2CC2)C1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H18ClFN2O/c15-10-5-9(6-11(16)7-10)14-13(8-17)19-4-3-18(14)12-1-2-12/h5-7,12-14H,1-4,8,17H2
InChIKeyXGDKLQKFJMXKNV-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.34
Rot. Bonds3

About [3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine

[3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine (PubChem CID 114454774) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is [3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
PubChem CID114454774
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name[3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
SMILESNCC1OCCN(C2CC2)C1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H18ClFN2O/c15-10-5-9(6-11(16)7-10)14-13(8-17)19-4-3-18(14)12-1-2-12/h5-7,12-14H,1-4,8,17H2
InChIKeyXGDKLQKFJMXKNV-UHFFFAOYSA-N
XLogP2.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
CID 114866618
N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 114454764
[3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine
CID 81159150
2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
CID 114454821
1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
CID 106818605
5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one
CID 114454794
2-(3-chloro-5-fluorophenyl)-3-(chloromethyl)oxolane
CID 114455159
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454759
1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454757
1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine
CID 107366614
[3-[3-(difluoromethyl)phenyl]-4-ethylmorpholin-2-yl]methanamine
CID 115529030

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine?
The IUPAC name of [3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine (CID 114454774) is [3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine.
What is the SMILES notation for [3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine?
The canonical SMILES for [3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine is NCC1OCCN(C2CC2)C1c1cc(F)cc(Cl)c1.
What is the InChIKey of [3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine?
The InChIKey is XGDKLQKFJMXKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-10-5-9(6-11(16)7-10)14-13(8-17)19-4-3-18(14)12-1-2-12/h5-7,12-14H,1-4,8,17H2.
What are the key properties of [3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine?
[3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine has a molecular weight of 284.76 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine is sourced from PubChem (CID 114454774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).