1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol

C16H27ClN2O — CID 102997275

IUPAC1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol
SMILESCCN(CCCN(C)C)CCC(O)c1ccccc1Cl
InChIInChI=1S/C16H27ClN2O/c1-4-19(12-7-11-18(2)3)13-10-16(20)14-8-5-6-9-15(14)17/h5-6,8-9,16,20H,4,7,10-13H2,1-3H3
InChIKeyQFODNBCEIWNYPZ-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.04
Rot. Bonds9

About 1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol

1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol (PubChem CID 102997275) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol
PubChem CID102997275
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol
SMILESCCN(CCCN(C)C)CCC(O)c1ccccc1Cl
InChIInChI=1S/C16H27ClN2O/c1-4-19(12-7-11-18(2)3)13-10-16(20)14-8-5-6-9-15(14)17/h5-6,8-9,16,20H,4,7,10-13H2,1-3H3
InChIKeyQFODNBCEIWNYPZ-UHFFFAOYSA-N
XLogP3.04
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
CID 62628760
3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol
CID 102997262
1-(2-chlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 113426386
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82071642
1-(2-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-ol
CID 55098928
1-(4-bromo-2-chlorophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82781584
2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol
CID 62642938
3-[butyl(ethyl)amino]-1-(5-chloro-2-methoxyphenyl)propan-1-ol
CID 82073915
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
3-[[2-(2-chlorophenyl)-2-hydroxyethyl]-ethylamino]propanenitrile
CID 111634689
3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624194

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol (CID 102997275) is 1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol is CCN(CCCN(C)C)CCC(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol?
The InChIKey is QFODNBCEIWNYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2O/c1-4-19(12-7-11-18(2)3)13-10-16(20)14-8-5-6-9-15(14)17/h5-6,8-9,16,20H,4,7,10-13H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol?
1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol has a molecular weight of 298.86 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol is sourced from PubChem (CID 102997275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).