N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine

C15H23BrN2O — CID 104851456

IUPACN-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCc1cc(Br)cc(CNC(C)CN2CCOCC2)c1
InChIInChI=1S/C15H23BrN2O/c1-12-7-14(9-15(16)8-12)10-17-13(2)11-18-3-5-19-6-4-18/h7-9,13,17H,3-6,10-11H2,1-2H3
InChIKeyNQVPRWDBVWUKMP-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.57
Rot. Bonds5

About N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine

N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 104851456) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID104851456
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCc1cc(Br)cc(CNC(C)CN2CCOCC2)c1
InChIInChI=1S/C15H23BrN2O/c1-12-7-14(9-15(16)8-12)10-17-13(2)11-18-3-5-19-6-4-18/h7-9,13,17H,3-6,10-11H2,1-2H3
InChIKeyNQVPRWDBVWUKMP-UHFFFAOYSA-N
XLogP2.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-5-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 104851455
N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107972034
1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051875
2-N-[(3-bromo-5-methylphenyl)methyl]propane-1,2-diamine
CID 104851447
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 43675675
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 112688776
1-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 62699740
N-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenyl]acetamide
CID 43675757
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
methyl 2-methyl-5-[(1-morpholin-4-ylpropan-2-ylamino)methyl]furan-3-carboxylate
CID 43779505
N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 115607201
N-[(5-ethylfuran-2-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 62345255

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine (CID 104851456) is N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine is Cc1cc(Br)cc(CNC(C)CN2CCOCC2)c1.
What is the InChIKey of N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is NQVPRWDBVWUKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-12-7-14(9-15(16)8-12)10-17-13(2)11-18-3-5-19-6-4-18/h7-9,13,17H,3-6,10-11H2,1-2H3.
What are the key properties of N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine?
N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 327.27 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 104851456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).