N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine

C14H20F2N2O — CID 28672164

IUPACN-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESFc1ccc(CNCCCN2CCOCC2)cc1F
InChIInChI=1S/C14H20F2N2O/c15-13-3-2-12(10-14(13)16)11-17-4-1-5-18-6-8-19-9-7-18/h2-3,10,17H,1,4-9,11H2
InChIKeyWAXNTEAABKCIHE-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.78
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 28672164) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID28672164
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESFc1ccc(CNCCCN2CCOCC2)cc1F
InChIInChI=1S/C14H20F2N2O/c15-13-3-2-12(10-14(13)16)11-17-4-1-5-18-6-8-19-9-7-18/h2-3,10,17H,1,4-9,11H2
InChIKeyWAXNTEAABKCIHE-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine 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

3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 28672523
N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 65316209
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 4715809
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557
2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde
CID 123206996
3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride
CID 17332415

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 28672164) is N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine is Fc1ccc(CNCCCN2CCOCC2)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is WAXNTEAABKCIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c15-13-3-2-12(10-14(13)16)11-17-4-1-5-18-6-8-19-9-7-18/h2-3,10,17H,1,4-9,11H2.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 270.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 28672164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).