[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine

C12H16ClFN2O — CID 103038281

IUPAC[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c13-11-5-9(1-2-12(11)14)7-16-3-4-17-8-10(16)6-15/h1-2,5,10H,3-4,6-8,15H2
InChIKeyBXTHARHKQYLFAN-UHFFFAOYSA-N
MW258.72 g/mol
LogP1.64
Rot. Bonds3

About [4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine

[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine (PubChem CID 103038281) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is [4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine
PubChem CID103038281
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O/c13-11-5-9(1-2-12(11)14)7-16-3-4-17-8-10(16)6-15/h1-2,5,10H,3-4,6-8,15H2
InChIKeyBXTHARHKQYLFAN-UHFFFAOYSA-N
XLogP1.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 18933378
[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
CID 83096056
[4-[(3,4-dimethoxyphenyl)methyl]morpholin-3-yl]methanamine
CID 83096554
[4-[(2-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 83095958
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311652
4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine
CID 103050076
1-[(3-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)piperidine
CID 103041314
2-(bromomethyl)-1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine
CID 103041371
[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99930605
[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol
CID 117009219
[2-[(3-chloro-4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 103038322
[1-[(4-chloro-3-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80504679

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine?
The IUPAC name of [4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine (CID 103038281) is [4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine.
What is the SMILES notation for [4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine?
The canonical SMILES for [4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine is NCC1COCCN1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of [4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine?
The InChIKey is BXTHARHKQYLFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-11-5-9(1-2-12(11)14)7-16-3-4-17-8-10(16)6-15/h1-2,5,10H,3-4,6-8,15H2.
What are the key properties of [4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine?
[4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine has a molecular weight of 258.72 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-fluorophenyl)methyl]morpholin-3-yl]methanamine is sourced from PubChem (CID 103038281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).