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

C18H26N2O — CID 79971167

IUPACN-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
SMILESCN1CCOC(CNC2CC2)C1c1cccc(C2CC2)c1
InChIInChI=1S/C18H26N2O/c1-20-9-10-21-17(12-19-16-7-8-16)18(20)15-4-2-3-14(11-15)13-5-6-13/h2-4,11,13,16-19H,5-10,12H2,1H3
InChIKeyTUZLQFUMNGVGOL-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.69
Rot. Bonds5

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

N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine (PubChem CID 79971167) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
PubChem CID79971167
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
SMILESCN1CCOC(CNC2CC2)C1c1cccc(C2CC2)c1
InChIInChI=1S/C18H26N2O/c1-20-9-10-21-17(12-19-16-7-8-16)18(20)15-4-2-3-14(11-15)13-5-6-13/h2-4,11,13,16-19H,5-10,12H2,1H3
InChIKeyTUZLQFUMNGVGOL-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.69
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
N-[[3-(4-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 79971008
N-[[3-(1-ethylpyrazol-4-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 103570741
N-[[3-(4-bromo-5-methylthiophen-2-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 102844603
N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine
CID 113472487
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]cyclobutan-1-amine
CID 79083029
N-[[3-(3-chloro-4-methoxyphenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 65021885
N-methyl-1-[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methanamine
CID 122164329
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 128976699
N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine
CID 62385559
4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979684

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine (CID 79971167) is N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine is CN1CCOC(CNC2CC2)C1c1cccc(C2CC2)c1.
What is the InChIKey of N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine?
The InChIKey is TUZLQFUMNGVGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-20-9-10-21-17(12-19-16-7-8-16)18(20)15-4-2-3-14(11-15)13-5-6-13/h2-4,11,13,16-19H,5-10,12H2,1H3.
What are the key properties of N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine?
N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine has a molecular weight of 286.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79971167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).