3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol

C15H20BrNO — CID 55098950

IUPAC3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol
SMILESC=CCN(CC=C)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H20BrNO/c1-3-9-17(10-4-2)11-8-15(18)13-6-5-7-14(16)12-13/h3-7,12,15,18H,1-2,8-11H2
InChIKeyCZUIZRWSKFNMEZ-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.55
Rot. Bonds8

About 3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol

3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol (PubChem CID 55098950) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol
PubChem CID55098950
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol
SMILESC=CCN(CC=C)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H20BrNO/c1-3-9-17(10-4-2)11-8-15(18)13-6-5-7-14(16)12-13/h3-7,12,15,18H,1-2,8-11H2
InChIKeyCZUIZRWSKFNMEZ-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(prop-2-enyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624727
1-(3-bromophenyl)pent-4-en-1-ol
CID 14665893
3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 62618326
1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol
CID 63692314
1-(3-bromophenyl)butan-1-ol
CID 18417756
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
3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82073670
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol
CID 82216688
1-(3-amino-4-methoxyphenyl)-3-[bis(prop-2-enyl)amino]propan-1-ol
CID 82071253
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol?
The IUPAC name of 3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol (CID 55098950) is 3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol is C=CCN(CC=C)CCC(O)c1cccc(Br)c1.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol?
The InChIKey is CZUIZRWSKFNMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-3-9-17(10-4-2)11-8-15(18)13-6-5-7-14(16)12-13/h3-7,12,15,18H,1-2,8-11H2.
What are the key properties of 3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol?
3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol has a molecular weight of 310.24 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]-1-(3-bromophenyl)propan-1-ol is sourced from PubChem (CID 55098950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).