3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline

C14H21FN2O2 — CID 115238903

IUPAC3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline
SMILESCOc1ccc(N(C)CCC2COCCN2)cc1F
InChIInChI=1S/C14H21FN2O2/c1-17(7-5-11-10-19-8-6-16-11)12-3-4-14(18-2)13(15)9-12/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyFIVSWOAHKDYYOV-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.65
Rot. Bonds5

About 3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline

3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline (PubChem CID 115238903) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline
PubChem CID115238903
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline
SMILESCOc1ccc(N(C)CCC2COCCN2)cc1F
InChIInChI=1S/C14H21FN2O2/c1-17(7-5-11-10-19-8-6-16-11)12-3-4-14(18-2)13(15)9-12/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyFIVSWOAHKDYYOV-UHFFFAOYSA-N
XLogP1.65
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238945
4-ethoxy-3-fluoro-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210222
3,4-dimethoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210196
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
3-bromo-4-methoxy-N-(2-morpholin-3-ylethyl)aniline
CID 115238841
3-bromo-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210208
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
3-fluoro-4-methoxy-N-methyl-N-(2-piperazin-1-ylethyl)aniline
CID 115230323
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
3-ethyl-4-methoxy-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210219
N-methyl-N-(2-morpholin-3-ylethyl)thiophen-2-amine
CID 115238898

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline?
The IUPAC name of 3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline (CID 115238903) is 3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline.
What is the SMILES notation for 3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline?
The canonical SMILES for 3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline is COc1ccc(N(C)CCC2COCCN2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline?
The InChIKey is FIVSWOAHKDYYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-17(7-5-11-10-19-8-6-16-11)12-3-4-14(18-2)13(15)9-12/h3-4,9,11,16H,5-8,10H2,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline?
3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline has a molecular weight of 268.33 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline is sourced from PubChem (CID 115238903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).