2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline

C14H20F2N2OS — CID 79164197

IUPAC2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline
SMILESCCN1CCOC(CNc2ccccc2SC(F)F)C1
InChIInChI=1S/C14H20F2N2OS/c1-2-18-7-8-19-11(10-18)9-17-12-5-3-4-6-13(12)20-14(15)16/h3-6,11,14,17H,2,7-10H2,1H3
InChIKeyKFBDUCFMUOLNQN-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.13
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline

2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline (PubChem CID 79164197) has the molecular formula C14H20F2N2OS and a molecular weight of 302.39 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline
PubChem CID79164197
Molecular FormulaC14H20F2N2OS
Molecular Weight302.39 g/mol
Exact Mass302.13
IUPAC Name2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline
SMILESCCN1CCOC(CNc2ccccc2SC(F)F)C1
InChIInChI=1S/C14H20F2N2OS/c1-2-18-7-8-19-11(10-18)9-17-12-5-3-4-6-13(12)20-14(15)16/h3-6,11,14,17H,2,7-10H2,1H3
InChIKeyKFBDUCFMUOLNQN-UHFFFAOYSA-N
XLogP3.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline
CID 79166538
1-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluorobenzene-1,2-diamine
CID 114399471
2-[(4-ethylmorpholin-2-yl)methylamino]-6-ethylsulfanylbenzonitrile
CID 114400094
2-amino-3-[(4-ethylmorpholin-2-yl)methylamino]benzonitrile
CID 114399276
N-[(4-ethylmorpholin-2-yl)methyl]quinolin-4-amine
CID 115620947
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]quinoxalin-2-amine
CID 95319257
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204537
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
CID 114399235

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline (CID 79164197) is 2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline is CCN1CCOC(CNc2ccccc2SC(F)F)C1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline?
The InChIKey is KFBDUCFMUOLNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2OS/c1-2-18-7-8-19-11(10-18)9-17-12-5-3-4-6-13(12)20-14(15)16/h3-6,11,14,17H,2,7-10H2,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline?
2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline has a molecular weight of 302.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline is sourced from PubChem (CID 79164197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).