4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline

C12H16ClFN2O — CID 60679405

IUPAC4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
SMILESFc1cc(Cl)ccc1NCCN1CCOCC1
InChIInChI=1S/C12H16ClFN2O/c13-10-1-2-12(11(14)9-10)15-3-4-16-5-7-17-8-6-16/h1-2,9,15H,3-8H2
InChIKeyALXQIFTUIQJJHK-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.22
Rot. Bonds4

About 4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline

4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 60679405) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
PubChem CID60679405
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
SMILESFc1cc(Cl)ccc1NCCN1CCOCC1
InChIInChI=1S/C12H16ClFN2O/c13-10-1-2-12(11(14)9-10)15-3-4-16-5-7-17-8-6-16/h1-2,9,15H,3-8H2
InChIKeyALXQIFTUIQJJHK-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889283
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
2-chloro-1-N-(2-morpholin-4-ylethyl)benzene-1,4-diamine
CID 28904413
3-fluoro-4-(2-morpholin-4-ylethylamino)benzenecarbothioamide
CID 43657809
2-fluoro-1-N-(4-morpholin-4-ylbutyl)benzene-1,4-diamine
CID 90022894
4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 156564066
2-fluoro-4-methoxy-N-(3-morpholin-4-ylpropyl)aniline
CID 82538948
2,4-dichloro-N-(morpholin-4-ylmethyl)aniline
CID 4525296
2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline
CID 54806085
4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 107789141
6-chloro-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)quinolin-4-amine
CID 91938150
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline (CID 60679405) is 4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline is Fc1cc(Cl)ccc1NCCN1CCOCC1.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is ALXQIFTUIQJJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-10-1-2-12(11(14)9-10)15-3-4-16-5-7-17-8-6-16/h1-2,9,15H,3-8H2.
What are the key properties of 4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline?
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 258.72 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 60679405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).