2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline

C12H16F2N2O2 — CID 115237891

IUPAC2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline
SMILESCOc1cc(F)c(NCC2COCCN2)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-17-12-5-9(13)11(4-10(12)14)16-6-8-7-18-3-2-15-8/h4-5,8,15-16H,2-3,6-7H2,1H3
InChIKeyCRIAPQDKZGOECZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.37
Rot. Bonds4

About 2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline

2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline (PubChem CID 115237891) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline
PubChem CID115237891
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline
SMILESCOc1cc(F)c(NCC2COCCN2)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-17-12-5-9(13)11(4-10(12)14)16-6-8-7-18-3-2-15-8/h4-5,8,15-16H,2-3,6-7H2,1H3
InChIKeyCRIAPQDKZGOECZ-UHFFFAOYSA-N
XLogP1.37
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
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

2-methoxy-N-[[(3S)-morpholin-3-yl]methyl]aniline
CID 99962582
4-methoxy-2,3,6-trimethyl-N-(morpholin-3-ylmethyl)aniline
CID 115237900
2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline
CID 115237892
3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline
CID 115237844
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238945
7-methyl-N-(morpholin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115237864
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103549019
2-methoxy-N-(morpholin-3-ylmethyl)pyridin-4-amine
CID 103549304
3-fluoro-4-methoxy-N-methyl-N-(2-morpholin-3-ylethyl)aniline
CID 115238903
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline?
The IUPAC name of 2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline (CID 115237891) is 2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline.
What is the SMILES notation for 2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline?
The canonical SMILES for 2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline is COc1cc(F)c(NCC2COCCN2)cc1F.
What is the InChIKey of 2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline?
The InChIKey is CRIAPQDKZGOECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-17-12-5-9(13)11(4-10(12)14)16-6-8-7-18-3-2-15-8/h4-5,8,15-16H,2-3,6-7H2,1H3.
What are the key properties of 2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline?
2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline has a molecular weight of 258.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methoxy-N-(morpholin-3-ylmethyl)aniline is sourced from PubChem (CID 115237891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).