2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine

C14H22BrNO — CID 103984791

IUPAC2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine
SMILESCCCNCC(COCC)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-3-9-16-10-13(11-17-4-2)12-5-7-14(15)8-6-12/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyYWTBQYZGPZYMLZ-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.57
Rot. Bonds8

About 2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine

2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine (PubChem CID 103984791) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine
PubChem CID103984791
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine
SMILESCCCNCC(COCC)c1ccc(Br)cc1
InChIInChI=1S/C14H22BrNO/c1-3-9-16-10-13(11-17-4-2)12-5-7-14(15)8-6-12/h5-8,13,16H,3-4,9-11H2,1-2H3
InChIKeyYWTBQYZGPZYMLZ-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-4-methyl-N-propylpentan-1-amine
CID 79438678
2-(4-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79431850
2-(4-bromophenyl)-4-(3-methoxypropoxy)-N-propylbutan-1-amine
CID 103183685
2-(4-bromophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457082
2-(4-bromophenyl)-3-(4-iodophenyl)-N-propylpropan-1-amine
CID 79431636
3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
CID 65429859
3-ethoxy-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 103984843
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
N-[2-(4-chlorophenyl)-3-ethoxypropyl]-2-methylpropan-1-amine
CID 103984798
2-(4-bromophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 79438116
2-(4-bromophenoxy)-N-propylbutan-1-amine
CID 62454410
2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437803

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine (CID 103984791) is 2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine is CCCNCC(COCC)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine?
The InChIKey is YWTBQYZGPZYMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-9-16-10-13(11-17-4-2)12-5-7-14(15)8-6-12/h5-8,13,16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine?
2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-ethoxy-N-propylpropan-1-amine is sourced from PubChem (CID 103984791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).