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

C15H22BrClN2O — CID 82773805

IUPACN-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
SMILESCC(NCCCN1CCOCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H22BrClN2O/c1-12(14-4-3-13(16)11-15(14)17)18-5-2-6-19-7-9-20-10-8-19/h3-4,11-12,18H,2,5-10H2,1H3
InChIKeyTUNZDCNVLGKICI-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.48
Rot. Bonds6

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

N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 82773805) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID82773805
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC NameN-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
SMILESCC(NCCCN1CCOCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H22BrClN2O/c1-12(14-4-3-13(16)11-15(14)17)18-5-2-6-19-7-9-20-10-8-19/h3-4,11-12,18H,2,5-10H2,1H3
InChIKeyTUNZDCNVLGKICI-UHFFFAOYSA-N
XLogP3.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.48
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

1-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43079142
1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60781399
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204957
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 103775397
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 82774647
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178907
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43768220
N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine
CID 82773597
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 81296835
1-(4-bromo-2-chlorophenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82773613

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine (CID 82773805) is N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine is CC(NCCCN1CCOCC1)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is TUNZDCNVLGKICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-12(14-4-3-13(16)11-15(14)17)18-5-2-6-19-7-9-20-10-8-19/h3-4,11-12,18H,2,5-10H2,1H3.
What are the key properties of N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine?
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 361.71 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 82773805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).