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

C18H30BrNO — CID 79490998

IUPAC1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol
SMILESCCC(CC)N(CCC(O)c1cccc(Br)c1)CC(C)C
InChIInChI=1S/C18H30BrNO/c1-5-17(6-2)20(13-14(3)4)11-10-18(21)15-8-7-9-16(19)12-15/h7-9,12,14,17-18,21H,5-6,10-11,13H2,1-4H3
InChIKeyHIOVECJLDOZIDO-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.02
Rot. Bonds9

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

1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol (PubChem CID 79490998) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol
PubChem CID79490998
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC Name1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol
SMILESCCC(CC)N(CCC(O)c1cccc(Br)c1)CC(C)C
InChIInChI=1S/C18H30BrNO/c1-5-17(6-2)20(13-14(3)4)11-10-18(21)15-8-7-9-16(19)12-15/h7-9,12,14,17-18,21H,5-6,10-11,13H2,1-4H3
InChIKeyHIOVECJLDOZIDO-UHFFFAOYSA-N
XLogP5.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854
1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol
CID 103191448
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3-bromophenyl)butan-1-ol
CID 18417756
2-[[3-amino-3-(3-bromophenyl)propyl]-pentan-3-ylamino]ethanol
CID 62619127
1-(3-bromophenyl)-2-(dipropylamino)ethanol
CID 82216690
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
3-[bis(2-methoxyethyl)amino]-1-(3-bromophenyl)propan-1-ol
CID 62618326
1-(3-bromophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-1-ol
CID 81074618
1-(3-bromophenyl)-3-[(4-bromophenyl)methyl-methylamino]propan-1-ol
CID 63489449
1-(3-bromophenyl)-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol
CID 63692314

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol (CID 79490998) is 1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol is CCC(CC)N(CCC(O)c1cccc(Br)c1)CC(C)C.
What is the InChIKey of 1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol?
The InChIKey is HIOVECJLDOZIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-5-17(6-2)20(13-14(3)4)11-10-18(21)15-8-7-9-16(19)12-15/h7-9,12,14,17-18,21H,5-6,10-11,13H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol?
1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol has a molecular weight of 356.35 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 79490998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).