N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine

C14H20ClFN2O — CID 102856201

IUPACN-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1Cc1cccc(Cl)c1F
InChIInChI=1S/C14H20ClFN2O/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
InChIKeyJMKXKCSOYGZPNU-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.29
Rot. Bonds5

About N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine

N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine (PubChem CID 102856201) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
PubChem CID102856201
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC NameN-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1Cc1cccc(Cl)c1F
InChIInChI=1S/C14H20ClFN2O/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
InChIKeyJMKXKCSOYGZPNU-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83099905
[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methanol
CID 102858362
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83099915
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100086
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 103886869
N-[[4-[(4-propan-2-ylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100725
1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 104792418
N-[[4-(2-cyclopropylethyl)morpholin-3-yl]methyl]ethanamine
CID 83099998
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 104792400
N-[(4-butylmorpholin-3-yl)methyl]ethanamine
CID 83100321
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine (CID 102856201) is N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1Cc1cccc(Cl)c1F.
What is the InChIKey of N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine?
The InChIKey is JMKXKCSOYGZPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/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-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine?
N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine has a molecular weight of 286.78 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 102856201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).