N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

C15H23ClN2O — CID 28643355

IUPACN-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(C)(CNCc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H23ClN2O/c1-15(2,18-6-8-19-9-7-18)12-17-11-13-4-3-5-14(16)10-13/h3-5,10,17H,6-9,11-12H2,1-2H3
InChIKeyAFFFDLFBAPEDIO-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.54
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 28643355) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID28643355
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCC(C)(CNCc1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H23ClN2O/c1-15(2,18-6-8-19-9-7-18)12-17-11-13-4-3-5-14(16)10-13/h3-5,10,17H,6-9,11-12H2,1-2H3
InChIKeyAFFFDLFBAPEDIO-UHFFFAOYSA-N
XLogP2.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 29285730
2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 28643403
N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 81497365
2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 60658294
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 29030381
N-[(3-chlorophenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656052
2-methyl-N-[(3-methylphenyl)methyl]-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 28728842
N-[(2-fluorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643365
N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 60658264
1-[(3-fluorophenyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314748
1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51274319

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 28643355) is N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is CC(C)(CNCc1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is AFFFDLFBAPEDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-15(2,18-6-8-19-9-7-18)12-17-11-13-4-3-5-14(16)10-13/h3-5,10,17H,6-9,11-12H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 282.81 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 28643355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).