1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol

C15H24BrNO2 — CID 63692314

IUPAC1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol
SMILESCCOCCN(CC)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-3-17(10-11-19-4-2)9-8-15(18)13-6-5-7-14(16)12-13/h5-7,12,15,18H,3-4,8-11H2,1-2H3
InChIKeyANFJZMPNFVVWJH-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.23
Rot. Bonds9

About 1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol

1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol (PubChem CID 63692314) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol
PubChem CID63692314
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol
SMILESCCOCCN(CC)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO2/c1-3-17(10-11-19-4-2)9-8-15(18)13-6-5-7-14(16)12-13/h5-7,12,15,18H,3-4,8-11H2,1-2H3
InChIKeyANFJZMPNFVVWJH-UHFFFAOYSA-N
XLogP3.23
TPSA32.70 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 ≤ 53.23
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-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 62618326
1-(3-bromophenyl)butan-1-ol
CID 18417756
3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63692501
3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 55098950
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854
1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81074618
1-(3-bromophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63697349
1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol
CID 103191448
1-(3-chlorophenyl)-N'-(2-ethoxyethyl)-N'-ethylpropane-1,3-diamine
CID 63691060
1-(3-bromophenyl)-2-(dipropylamino)ethanol
CID 82216690
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol (CID 63692314) is 1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol is CCOCCN(CC)CCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol?
The InChIKey is ANFJZMPNFVVWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-3-17(10-11-19-4-2)9-8-15(18)13-6-5-7-14(16)12-13/h5-7,12,15,18H,3-4,8-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol?
1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol has a molecular weight of 330.27 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol is sourced from PubChem (CID 63692314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).