N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine

C15H20ClFN2O — CID 81160749

IUPACN-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
SMILESCN1CCOC(CNC2CC2)C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H20ClFN2O/c1-19-6-7-20-14(9-18-11-3-4-11)15(19)10-2-5-13(17)12(16)8-10/h2,5,8,11,14-15,18H,3-4,6-7,9H2,1H3
InChIKeyLYVCRAVKLJFASP-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.60
Rot. Bonds4

About N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine

N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine (PubChem CID 81160749) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
PubChem CID81160749
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC NameN-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
SMILESCN1CCOC(CNC2CC2)C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H20ClFN2O/c1-19-6-7-20-14(9-18-11-3-4-11)15(19)10-2-5-13(17)12(16)8-10/h2,5,8,11,14-15,18H,3-4,6-7,9H2,1H3
InChIKeyLYVCRAVKLJFASP-UHFFFAOYSA-N
XLogP2.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 79971167
[3-(3-chloro-4-fluorophenyl)-4-propylmorpholin-2-yl]methanamine
CID 81159150
N-[[3-(1-ethylpyrazol-4-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 103570741
N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 65021885
N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 114454764
N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 102844603
1-[3-(3-chloro-4-methylphenyl)-4-cyclopropylmorpholin-2-yl]-N-methylmethanamine
CID 106818605
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine;hydrochloride
CID 17333117
N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine
CID 113472487
N-[[3-(4-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 79971008
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
4-fluoro-N-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-(methylsulfanylmethyl)benzamide
CID 136584058

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine (CID 81160749) is N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine is CN1CCOC(CNC2CC2)C1c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine?
The InChIKey is LYVCRAVKLJFASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-19-6-7-20-14(9-18-11-3-4-11)15(19)10-2-5-13(17)12(16)8-10/h2,5,8,11,14-15,18H,3-4,6-7,9H2,1H3.
What are the key properties of N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine?
N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine has a molecular weight of 298.79 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chloro-4-fluorophenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 81160749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).