N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine

C21H25FN2O2 — CID 46966662

IUPACN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1ccc(C2(NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1
InChIInChI=1S/C21H25FN2O2/c1-25-18-5-3-17(4-6-18)21(8-9-21)23-15-16-2-7-20(19(22)14-16)24-10-12-26-13-11-24/h2-7,14,23H,8-13,15H2,1H3
InChIKeyYHZPGOQPCWOXRX-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.45
Rot. Bonds6

About N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine

N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine (PubChem CID 46966662) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine
PubChem CID46966662
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1ccc(C2(NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1
InChIInChI=1S/C21H25FN2O2/c1-25-18-5-3-17(4-6-18)21(8-9-21)23-15-16-2-7-20(19(22)14-16)24-10-12-26-13-11-24/h2-7,14,23H,8-13,15H2,1H3
InChIKeyYHZPGOQPCWOXRX-UHFFFAOYSA-N
XLogP3.45
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline
CID 91674330
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 3728936
1-(4-methoxyphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]cyclopropan-1-amine
CID 16673925
2-(3-fluoro-4-morpholin-4-ylphenyl)ethanamine
CID 63784903
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine
CID 126143320
(1R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 95177713
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232301
O-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]hydroxylamine
CID 117353426
4-[6-fluoro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazol-5-yl]morpholine
CID 164517113
N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
1-(2-ethoxyethyl)-3-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111896934
1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 87037648

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine (CID 46966662) is N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine is COc1ccc(C2(NCc3ccc(N4CCOCC4)c(F)c3)CC2)cc1.
What is the InChIKey of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is YHZPGOQPCWOXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-25-18-5-3-17(4-6-18)21(8-9-21)23-15-16-2-7-20(19(22)14-16)24-10-12-26-13-11-24/h2-7,14,23H,8-13,15H2,1H3.
What are the key properties of N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine?
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 356.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-1-(4-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 46966662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).