1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol

C15H24BrNO — CID 55099187

IUPAC1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
SMILESCCCC(C)N(C)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-4-6-12(2)17(3)10-9-15(18)13-7-5-8-14(16)11-13/h5,7-8,11-12,15,18H,4,6,9-10H2,1-3H3
InChIKeyFGPRUESFPNZWCF-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.99
Rot. Bonds7

About 1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol

1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol (PubChem CID 55099187) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
PubChem CID55099187
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
SMILESCCCC(C)N(C)CCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-4-6-12(2)17(3)10-9-15(18)13-7-5-8-14(16)11-13/h5,7-8,11-12,15,18H,4,6,9-10H2,1-3H3
InChIKeyFGPRUESFPNZWCF-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol (CID 55099187) is 1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol is CCCC(C)N(C)CCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol?
The InChIKey is FGPRUESFPNZWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-6-12(2)17(3)10-9-15(18)13-7-5-8-14(16)11-13/h5,7-8,11-12,15,18H,4,6,9-10H2,1-3H3.
What are the key properties of 1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol?
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol has a molecular weight of 314.27 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 55099187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).