N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine

C14H21FN2O — CID 90054696

IUPACN-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1cc(F)cc(CNCCN2CCOCC2)c1
InChIInChI=1S/C14H21FN2O/c1-12-8-13(10-14(15)9-12)11-16-2-3-17-4-6-18-7-5-17/h8-10,16H,2-7,11H2,1H3
InChIKeyRHLFMDPKKHUBST-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.56
Rot. Bonds5

About N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine

N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 90054696) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID90054696
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1cc(F)cc(CNCCN2CCOCC2)c1
InChIInChI=1S/C14H21FN2O/c1-12-8-13(10-14(15)9-12)11-16-2-3-17-4-6-18-7-5-17/h8-10,16H,2-7,11H2,1H3
InChIKeyRHLFMDPKKHUBST-UHFFFAOYSA-N
XLogP1.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine 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

N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
N-[(3,5-difluorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 112705216
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 87737293
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220541
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine
CID 115523459
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
CID 2995241
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 4719981

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine (CID 90054696) is N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine is Cc1cc(F)cc(CNCCN2CCOCC2)c1.
What is the InChIKey of N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is RHLFMDPKKHUBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-12-8-13(10-14(15)9-12)11-16-2-3-17-4-6-18-7-5-17/h8-10,16H,2-7,11H2,1H3.
What are the key properties of N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine?
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 252.33 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 90054696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).