2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline

C14H21FN2O — CID 174794681

IUPAC2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline
SMILESCC(C)CN1CCOC(c2ccc(N)c(F)c2)C1
InChIInChI=1S/C14H21FN2O/c1-10(2)8-17-5-6-18-14(9-17)11-3-4-13(16)12(15)7-11/h3-4,7,10,14H,5-6,8-9,16H2,1-2H3
InChIKeyFMRCAQKSBNHYIY-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.44
Rot. Bonds3

About 2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline

2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline (PubChem CID 174794681) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline
PubChem CID174794681
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline
SMILESCC(C)CN1CCOC(c2ccc(N)c(F)c2)C1
InChIInChI=1S/C14H21FN2O/c1-10(2)8-17-5-6-18-14(9-17)11-3-4-13(16)12(15)7-11/h3-4,7,10,14H,5-6,8-9,16H2,1-2H3
InChIKeyFMRCAQKSBNHYIY-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylpropyl)-2-phenylmorpholine
CID 6430937
(2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine
CID 142767961
1-cyclohexyloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959087
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,4,6-trimethylphenoxy)propan-2-ol
CID 138959020
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959039
5-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899753
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(3-methylphenoxy)propan-2-ol
CID 138959008
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2,5-dimethylphenoxy)propan-2-ol
CID 138959024
1-benzhydryloxy-3-[2-(3,4-difluorophenyl)morpholin-4-yl]propan-2-ol
CID 138959078
methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743
2-[2-[2-(3,4-difluorophenyl)morpholin-4-yl]ethoxy]ethanol
CID 111432790

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline?
The IUPAC name of 2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline (CID 174794681) is 2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline.
What is the SMILES notation for 2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline?
The canonical SMILES for 2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline is CC(C)CN1CCOC(c2ccc(N)c(F)c2)C1.
What is the InChIKey of 2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline?
The InChIKey is FMRCAQKSBNHYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)8-17-5-6-18-14(9-17)11-3-4-13(16)12(15)7-11/h3-4,7,10,14H,5-6,8-9,16H2,1-2H3.
What are the key properties of 2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline?
2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline has a molecular weight of 252.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(2-methylpropyl)morpholin-2-yl]aniline is sourced from PubChem (CID 174794681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).