2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline

C14H21FN2O2 — CID 82538948

IUPAC2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
SMILESCOc1ccc(NCCCN2CCOCC2)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-18-12-3-4-14(13(15)11-12)16-5-2-6-17-7-9-19-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyKNAAVIJFZNRAQL-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.97
Rot. Bonds6

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

2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline (PubChem CID 82538948) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
PubChem CID82538948
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
SMILESCOc1ccc(NCCCN2CCOCC2)c(F)c1
InChIInChI=1S/C14H21FN2O2/c1-18-12-3-4-14(13(15)11-12)16-5-2-6-17-7-9-19-10-8-17/h3-4,11,16H,2,5-10H2,1H3
InChIKeyKNAAVIJFZNRAQL-UHFFFAOYSA-N
XLogP1.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine
CID 90022894
4-fluoro-5-methoxy-1-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 63599229
2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 2927743
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093801
4-ethoxy-5-fluoro-2-N-(3-morpholin-4-ylpropyl)benzene-1,2-diamine
CID 63593924
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-methyl-3-N-(3-morpholin-4-ylpropyl)benzene-1,3-diamine
CID 55091459
2,3-difluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 79834479
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
ethane;1-fluoro-4-(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
CID 144958240
5-fluoro-2-(3-morpholin-4-ylpropylamino)benzenecarbothioamide
CID 63674197

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline?
The IUPAC name of 2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline (CID 82538948) is 2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline.
What is the SMILES notation for 2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline?
The canonical SMILES for 2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline is COc1ccc(NCCCN2CCOCC2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline?
The InChIKey is KNAAVIJFZNRAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-18-12-3-4-14(13(15)11-12)16-5-2-6-17-7-9-19-10-8-17/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline?
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline has a molecular weight of 268.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline is sourced from PubChem (CID 82538948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).