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

C14H21FN2O — CID 3152143

IUPACN-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESFc1cccc(CNCCCN2CCOCC2)c1
InChIInChI=1S/C14H21FN2O/c15-14-4-1-3-13(11-14)12-16-5-2-6-17-7-9-18-10-8-17/h1,3-4,11,16H,2,5-10,12H2
InChIKeyZSYQXTSWVRPLFN-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.64
Rot. Bonds6

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

N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 3152143) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID3152143
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESFc1cccc(CNCCCN2CCOCC2)c1
InChIInChI=1S/C14H21FN2O/c15-14-4-1-3-13(11-14)12-16-5-2-6-17-7-9-18-10-8-17/h1,3-4,11,16H,2,5-10,12H2
InChIKeyZSYQXTSWVRPLFN-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657741
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
1-[(3-fluorophenyl)methyl]-6-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]quinolin-2-one
CID 31162418
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 17159849
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 3152143) is N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine is Fc1cccc(CNCCCN2CCOCC2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is ZSYQXTSWVRPLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c15-14-4-1-3-13(11-14)12-16-5-2-6-17-7-9-18-10-8-17/h1,3-4,11,16H,2,5-10,12H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 3152143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).