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

C14H18ClFN2O — CID 114866618

IUPAC[3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
SMILESNCC1OCCN(C2CC2)C1c1ccc(Cl)cc1F
InChIInChI=1S/C14H18ClFN2O/c15-9-1-4-11(12(16)7-9)14-13(8-17)19-6-5-18(14)10-2-3-10/h1,4,7,10,13-14H,2-3,5-6,8,17H2
InChIKeyPDXJJBJJSKKBOR-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.34
Rot. Bonds3

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

[3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine (PubChem CID 114866618) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is [3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
PubChem CID114866618
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name[3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
SMILESNCC1OCCN(C2CC2)C1c1ccc(Cl)cc1F
InChIInChI=1S/C14H18ClFN2O/c15-9-1-4-11(12(16)7-9)14-13(8-17)19-6-5-18(14)10-2-3-10/h1,4,7,10,13-14H,2-3,5-6,8,17H2
InChIKeyPDXJJBJJSKKBOR-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-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
CID 114454774
1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine
CID 114866612
[3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine
CID 81159150
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
[2-(2-bromo-5-chlorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 66159366
[2-(4-chloro-2-fluorophenyl)-4-methylcyclohexyl]methanamine
CID 81010425
[2-(4-chloro-2-fluorophenyl)cycloheptyl]methanamine
CID 81011067
2-(4-chloro-2-fluorophenyl)-3-(chloromethyl)oxolane
CID 114867661
1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
CID 106818605
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 114488890
4-chloro-1-cyclopentyl-2-fluorobenzene
CID 66685145
(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545315

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine?
The IUPAC name of [3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine (CID 114866618) is [3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine.
What is the SMILES notation for [3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine?
The canonical SMILES for [3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine is NCC1OCCN(C2CC2)C1c1ccc(Cl)cc1F.
What is the InChIKey of [3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine?
The InChIKey is PDXJJBJJSKKBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-9-1-4-11(12(16)7-9)14-13(8-17)19-6-5-18(14)10-2-3-10/h1,4,7,10,13-14H,2-3,5-6,8,17H2.
What are the key properties of [3-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine?
[3-(4-chloro-2-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-(4-chloro-2-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine is sourced from PubChem (CID 114866618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).