N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine

C15H24BrNO2 — CID 62106452

IUPACN-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine
SMILESCOCCCOC(CNC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO2/c1-12(2)17-11-15(19-10-4-9-18-3)13-5-7-14(16)8-6-13/h5-8,12,15,17H,4,9-11H2,1-3H3
InChIKeySPVCSDCDNKAHFY-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.54
Rot. Bonds9

About N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine

N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine (PubChem CID 62106452) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine
PubChem CID62106452
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC NameN-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine
SMILESCOCCCOC(CNC(C)C)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO2/c1-12(2)17-11-15(19-10-4-9-18-3)13-5-7-14(16)8-6-13/h5-8,12,15,17H,4,9-11H2,1-3H3
InChIKeySPVCSDCDNKAHFY-UHFFFAOYSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.54
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

N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
CID 62107338
2-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281
2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine
CID 62106282
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204893
2-(4-fluorophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62107169
N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine
CID 55036236
N-[2-phenyl-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108300
2-(4-bromophenyl)-N-methyl-2-octoxyethanamine
CID 63476270
N-[2-(4-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethyl]propan-2-amine
CID 82783070
N-[2-ethoxy-2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 62108347
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
CID 63475506
N-[2-(4-methoxyphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-2-amine
CID 82962987

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine (CID 62106452) is N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine is COCCCOC(CNC(C)C)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine?
The InChIKey is SPVCSDCDNKAHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-12(2)17-11-15(19-10-4-9-18-3)13-5-7-14(16)8-6-13/h5-8,12,15,17H,4,9-11H2,1-3H3.
What are the key properties of N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine?
N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine has a molecular weight of 330.27 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine is sourced from PubChem (CID 62106452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).