2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline

C13H18ClFN2O — CID 79164853

IUPAC2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
SMILESCCN1CCOC(CNc2ccc(F)cc2Cl)C1
InChIInChI=1S/C13H18ClFN2O/c1-2-17-5-6-18-11(9-17)8-16-13-4-3-10(15)7-12(13)14/h3-4,7,11,16H,2,5-6,8-9H2,1H3
InChIKeyPWXHUMFPYHRQFF-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.61
Rot. Bonds4

About 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline

2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline (PubChem CID 79164853) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
PubChem CID79164853
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
SMILESCCN1CCOC(CNc2ccc(F)cc2Cl)C1
InChIInChI=1S/C13H18ClFN2O/c1-2-17-5-6-18-11(9-17)8-16-13-4-3-10(15)7-12(13)14/h3-4,7,11,16H,2,5-6,8-9H2,1H3
InChIKeyPWXHUMFPYHRQFF-UHFFFAOYSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,5-dimethoxyaniline
CID 79164835
2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164415
4-[(4-ethylmorpholin-2-yl)methylamino]-3-fluorobenzonitrile
CID 78952508
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline
CID 79166538
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758
1-(4-ethylmorpholin-2-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968124
N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 78946861
1-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluorobenzene-1,2-diamine
CID 114399471
N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
CID 79165761
4-chloro-2-[(4-ethylmorpholin-2-yl)methylamino]benzoic acid
CID 114401232
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]quinolin-8-amine
CID 116784042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline?
The IUPAC name of 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline (CID 79164853) is 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline is CCN1CCOC(CNc2ccc(F)cc2Cl)C1.
What is the InChIKey of 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline?
The InChIKey is PWXHUMFPYHRQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-2-17-5-6-18-11(9-17)8-16-13-4-3-10(15)7-12(13)14/h3-4,7,11,16H,2,5-6,8-9H2,1H3.
What are the key properties of 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline?
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline has a molecular weight of 272.75 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 79164853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).