1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol

C16H27BrN2O — CID 103191448

IUPAC1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol
SMILESCCN(CCC(O)c1cccc(Br)c1)C(C)CN(C)C
InChIInChI=1S/C16H27BrN2O/c1-5-19(13(2)12-18(3)4)10-9-16(20)14-7-6-8-15(17)11-14/h6-8,11,13,16,20H,5,9-10,12H2,1-4H3
InChIKeyCCXGOAJOVCSZMF-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.14
Rot. Bonds8

About 1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol

1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol (PubChem CID 103191448) has the molecular formula C16H27BrN2O and a molecular weight of 343.31 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol
PubChem CID103191448
Molecular FormulaC16H27BrN2O
Molecular Weight343.31 g/mol
Exact Mass342.13
IUPAC Name1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol
SMILESCCN(CCC(O)c1cccc(Br)c1)C(C)CN(C)C
InChIInChI=1S/C16H27BrN2O/c1-5-19(13(2)12-18(3)4)10-9-16(20)14-7-6-8-15(17)11-14/h6-8,11,13,16,20H,5,9-10,12H2,1-4H3
InChIKeyCCXGOAJOVCSZMF-UHFFFAOYSA-N
XLogP3.14
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-[propan-2-yl(propyl)amino]propan-1-ol
CID 55098854
1-(3-bromophenyl)-3-[2-methylpropyl(pentan-3-yl)amino]propan-1-ol
CID 79490998
1-(3-bromophenyl)-3-[methyl(pentan-2-yl)amino]propan-1-ol
CID 55099187
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol
CID 61477128
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
1-(3-bromophenyl)-2-(dipropylamino)ethanol
CID 82216690
3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol
CID 62613917
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol (CID 103191448) is 1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol is CCN(CCC(O)c1cccc(Br)c1)C(C)CN(C)C.
What is the InChIKey of 1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol?
The InChIKey is CCXGOAJOVCSZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2O/c1-5-19(13(2)12-18(3)4)10-9-16(20)14-7-6-8-15(17)11-14/h6-8,11,13,16,20H,5,9-10,12H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol?
1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol has a molecular weight of 343.31 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol is sourced from PubChem (CID 103191448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).