N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine

C15H23BrN2O — CID 43204957

IUPACN-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
SMILESCC(NCCCN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-13(14-3-5-15(16)6-4-14)17-7-2-8-18-9-11-19-12-10-18/h3-6,13,17H,2,7-12H2,1H3
InChIKeyCMHYREUGPYYZLW-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.82
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine

N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 43204957) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID43204957
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
SMILESCC(NCCCN1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-13(14-3-5-15(16)6-4-14)17-7-2-8-18-9-11-19-12-10-18/h3-6,13,17H,2,7-12H2,1H3
InChIKeyCMHYREUGPYYZLW-UHFFFAOYSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.82
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

3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657866
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 82773805
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204980
N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204967
1-(2,4-dibromophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 60781399
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
CID 43769529
N-[1-(3-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203840
N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 43203851
3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
CID 43204989
3-(4-methylpiperazin-1-yl)-N-[1-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 43106395
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine (CID 43204957) is N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine is CC(NCCCN1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is CMHYREUGPYYZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-13(14-3-5-15(16)6-4-14)17-7-2-8-18-9-11-19-12-10-18/h3-6,13,17H,2,7-12H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine?
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 327.27 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 43204957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).