1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine

C15H24BrNO2 — CID 79548028

IUPAC1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine
SMILESCCOC(CNC(CC)c1ccc(Br)cc1)OCC
InChIInChI=1S/C15H24BrNO2/c1-4-14(12-7-9-13(16)10-8-12)17-11-15(18-5-2)19-6-3/h7-10,14-15,17H,4-6,11H2,1-3H3
InChIKeyHNPORFIGEGFFRB-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.89
Rot. Bonds9

About 1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine

1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine (PubChem CID 79548028) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine
PubChem CID79548028
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine
SMILESCCOC(CNC(CC)c1ccc(Br)cc1)OCC
InChIInChI=1S/C15H24BrNO2/c1-4-14(12-7-9-13(16)10-8-12)17-11-15(18-5-2)19-6-3/h7-10,14-15,17H,4-6,11H2,1-3H3
InChIKeyHNPORFIGEGFFRB-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2,2-diethoxyethanamine
CID 79548377
4-bromo-2-[1-(2,2-diethoxyethylamino)propyl]phenol
CID 79547688
1-[1-(4-bromophenyl)propylamino]butan-2-ol
CID 115899581
1-(4-bromophenyl)-N-ethoxypropan-1-amine
CID 80712261
1-(4-bromophenyl)-N-(2-methylsulfinylpropyl)propan-1-amine
CID 115896261
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151396
4-[1-(2,2-dimethoxyethylamino)propyl]phenol
CID 54921747
1-[4-(4-bromophenyl)phenyl]-N-propylpropan-1-amine
CID 63888912
N-[1-(4-bromophenyl)propyl]-3-methylpentan-2-amine
CID 43692297
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
1-(4-bromophenyl)-N-(3-propoxypropyl)propan-1-amine
CID 82941084

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine (CID 79548028) is 1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine is CCOC(CNC(CC)c1ccc(Br)cc1)OCC.
What is the InChIKey of 1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine?
The InChIKey is HNPORFIGEGFFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-4-14(12-7-9-13(16)10-8-12)17-11-15(18-5-2)19-6-3/h7-10,14-15,17H,4-6,11H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine?
1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2,2-diethoxyethyl)propan-1-amine is sourced from PubChem (CID 79548028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).