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

C17H29BrN2O — CID 62623839

IUPAC1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol
SMILESCC(C)CN(CCC(O)c1ccccc1Br)CCN(C)C
InChIInChI=1S/C17H29BrN2O/c1-14(2)13-20(12-11-19(3)4)10-9-17(21)15-7-5-6-8-16(15)18/h5-8,14,17,21H,9-13H2,1-4H3
InChIKeyRHTLFIJPCHDAPE-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.39
Rot. Bonds9

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

1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol (PubChem CID 62623839) has the molecular formula C17H29BrN2O and a molecular weight of 357.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol
PubChem CID62623839
Molecular FormulaC17H29BrN2O
Molecular Weight357.34 g/mol
Exact Mass356.15
IUPAC Name1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol
SMILESCC(C)CN(CCC(O)c1ccccc1Br)CCN(C)C
InChIInChI=1S/C17H29BrN2O/c1-14(2)13-20(12-11-19(3)4)10-9-17(21)15-7-5-6-8-16(15)18/h5-8,14,17,21H,9-13H2,1-4H3
InChIKeyRHTLFIJPCHDAPE-UHFFFAOYSA-N
XLogP3.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-[2-methoxyethyl(2-methylpropyl)amino]propan-1-ol
CID 62625619
3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624194
1-(2-bromophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 62624752
1-(2-bromophenyl)-N'-[2-(dimethylamino)ethyl]-N-methyl-N'-propylpropane-1,3-diamine
CID 62629274
1-(2-bromophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-ol
CID 62625441
1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55098747
5-[[3-(2-bromophenyl)-3-hydroxypropyl]-methylamino]pentan-1-ol
CID 107204738
3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol
CID 63487544
1-(2-bromophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489442
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62622929
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol (CID 62623839) is 1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol is CC(C)CN(CCC(O)c1ccccc1Br)CCN(C)C.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol?
The InChIKey is RHTLFIJPCHDAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2O/c1-14(2)13-20(12-11-19(3)4)10-9-17(21)15-7-5-6-8-16(15)18/h5-8,14,17,21H,9-13H2,1-4H3.
What are the key properties of 1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol?
1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol has a molecular weight of 357.34 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol is sourced from PubChem (CID 62623839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).