ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline

C14H23FN2O — CID 177223296

IUPACethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline
SMILESCC.Cc1c(F)cc(N)cc1CN1CCOCC1
InChIInChI=1S/C12H17FN2O.C2H6/c1-9-10(6-11(14)7-12(9)13)8-15-2-4-16-5-3-15;1-2/h6-7H,2-5,8,14H2,1H3;1-2H3
InChIKeyZARGQRULHIWLKH-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.57
Rot. Bonds2

About ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline

ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline (PubChem CID 177223296) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound Nameethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline
PubChem CID177223296
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Nameethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline
SMILESCC.Cc1c(F)cc(N)cc1CN1CCOCC1
InChIInChI=1S/C12H17FN2O.C2H6/c1-9-10(6-11(14)7-12(9)13)8-15-2-4-16-5-3-15;1-2/h6-7H,2-5,8,14H2,1H3;1-2H3
InChIKeyZARGQRULHIWLKH-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.57
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-[(3-fluoro-5-iodo-2-methylphenyl)methyl]morpholine
CID 146419337
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
5-amino-2-(morpholin-4-ylmethyl)phenol
CID 19799808
3-methyl-4-(morpholin-4-ylmethyl)benzene-1,2-diamine
CID 23441207
4-[(4-chloro-2,5-difluorophenyl)methyl]morpholine
CID 59543863
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
2-amino-6-[[16-[(3-amino-2-hydroxy-5-methylphenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-4-methylphenol
CID 10578190
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
CID 84788709
ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 144816585
4-methyl-2,6-bis(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenol
CID 10462009
ethyl 2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-oxoacetate
CID 117475900
3-fluoro-4-(morpholin-4-ylmethyl)aniline;[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-(1H-pyrazol-4-yl)diazene
CID 158719759

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline?
The IUPAC name of ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline (CID 177223296) is ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline is CC.Cc1c(F)cc(N)cc1CN1CCOCC1.
What is the InChIKey of ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline?
The InChIKey is ZARGQRULHIWLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O.C2H6/c1-9-10(6-11(14)7-12(9)13)8-15-2-4-16-5-3-15;1-2/h6-7H,2-5,8,14H2,1H3;1-2H3.
What are the key properties of ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline?
ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline has a molecular weight of 254.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 177223296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).