3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol

C15H25BrN2O — CID 55099043

IUPAC3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)CCC(N)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2O/c1-12(2)18(8-4-10-19)9-7-15(17)13-5-3-6-14(16)11-13/h3,5-6,11-12,15,19H,4,7-10,17H2,1-2H3
InChIKeyJJRSCRHIWRYBPL-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.93
Rot. Bonds8

About 3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol

3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol (PubChem CID 55099043) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol
PubChem CID55099043
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)CCC(N)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2O/c1-12(2)18(8-4-10-19)9-7-15(17)13-5-3-6-14(16)11-13/h3,5-6,11-12,15,19H,4,7-10,17H2,1-2H3
InChIKeyJJRSCRHIWRYBPL-UHFFFAOYSA-N
XLogP2.93
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-amino-3-(3-bromophenyl)propyl]-pentan-3-ylamino]ethanol
CID 62619127
1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854
1-(3-bromophenyl)hexan-1-amine
CID 62602572
1-(3-bromophenyl)-N'-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62618210
1-(3-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 55099568
1-(3-bromophenyl)heptan-1-amine
CID 62602381
1-(3-bromophenyl)tridecan-1-amine
CID 63412351
1-(3-bromophenyl)-N'-[3-(dimethylamino)propyl]-N'-ethylpropane-1,3-diamine
CID 102997098
1-(3-bromophenyl)-N'-(1-cyclopropylethyl)-N'-methylpropane-1,3-diamine
CID 62618564
1-(3-bromophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63864710
N'-ethyl-1-(3-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62645505
1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487295

Frequently Asked Questions

What is the IUPAC name of 3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol (CID 55099043) is 3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)CCC(N)c1cccc(Br)c1.
What is the InChIKey of 3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol?
The InChIKey is JJRSCRHIWRYBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-12(2)18(8-4-10-19)9-7-15(17)13-5-3-6-14(16)11-13/h3,5-6,11-12,15,19H,4,7-10,17H2,1-2H3.
What are the key properties of 3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol?
3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol has a molecular weight of 329.28 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-amino-3-(3-bromophenyl)propyl]-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 55099043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).