[1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine

C15H21FN2O — CID 117415603

IUPAC[1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine
SMILESNCC1(c2ccc(CN3CCOCC3)c(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c16-14-9-13(15(11-17)3-4-15)2-1-12(14)10-18-5-7-19-8-6-18/h1-2,9H,3-8,10-11,17H2
InChIKeyDLVYJAJMVZJPKX-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.65
Rot. Bonds4

About [1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine

[1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine (PubChem CID 117415603) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is [1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine
PubChem CID117415603
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name[1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine
SMILESNCC1(c2ccc(CN3CCOCC3)c(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c16-14-9-13(15(11-17)3-4-15)2-1-12(14)10-18-5-7-19-8-6-18/h1-2,9H,3-8,10-11,17H2
InChIKeyDLVYJAJMVZJPKX-UHFFFAOYSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]acetic acid
CID 117444334
4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride
CID 165434083
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-methylpropan-1-ol
CID 117422004
[5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117492434
2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethanamine
CID 55218660
4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine
CID 59543863
ethyl 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxoacetate
CID 117475900
5-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598045
4-amino-4-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]butanoic acid
CID 117477615
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 117421534
5-amino-2-(morpholin-4-ylmethyl)phenol
CID 19799808
1-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117444331

Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine (CID 117415603) is [1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine is NCC1(c2ccc(CN3CCOCC3)c(F)c2)CC1.
What is the InChIKey of [1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine?
The InChIKey is DLVYJAJMVZJPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c16-14-9-13(15(11-17)3-4-15)2-1-12(14)10-18-5-7-19-8-6-18/h1-2,9H,3-8,10-11,17H2.
What are the key properties of [1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine?
[1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine has a molecular weight of 264.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117415603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).