N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine

C14H20F2N2O — CID 83099905

IUPACN-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1Cc1cccc(F)c1F
InChIInChI=1S/C14H20F2N2O/c1-2-17-8-12-10-19-7-6-18(12)9-11-4-3-5-13(15)14(11)16/h3-5,12,17H,2,6-10H2,1H3
InChIKeyVOMMJSSCXGZMPI-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.78
Rot. Bonds5

About N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine

N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine (PubChem CID 83099905) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
PubChem CID83099905
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1Cc1cccc(F)c1F
InChIInChI=1S/C14H20F2N2O/c1-2-17-8-12-10-19-7-6-18(12)9-11-4-3-5-13(15)14(11)16/h3-5,12,17H,2,6-10H2,1H3
InChIKeyVOMMJSSCXGZMPI-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83099915
N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 102856201
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
N-[[4-[(4-ethylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100237
1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 104792418
N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100350
N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100725
[4-[(2-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 83095958
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100086
N-[(4-butylmorpholin-3-yl)methyl]ethanamine
CID 83100321
[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methanol
CID 102858362

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine (CID 83099905) is N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1Cc1cccc(F)c1F.
What is the InChIKey of N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine?
The InChIKey is VOMMJSSCXGZMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-2-17-8-12-10-19-7-6-18(12)9-11-4-3-5-13(15)14(11)16/h3-5,12,17H,2,6-10H2,1H3.
What are the key properties of N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine?
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine has a molecular weight of 270.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 83099905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).