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

C16H27FN2O — CID 102997262

IUPAC3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol
SMILESCCN(CCCN(C)C)CCC(O)c1cccc(F)c1
InChIInChI=1S/C16H27FN2O/c1-4-19(11-6-10-18(2)3)12-9-16(20)14-7-5-8-15(17)13-14/h5,7-8,13,16,20H,4,6,9-12H2,1-3H3
InChIKeyWGSOHKUXXHMFAK-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.52
Rot. Bonds9

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

3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol (PubChem CID 102997262) has the molecular formula C16H27FN2O and a molecular weight of 282.40 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol
PubChem CID102997262
Molecular FormulaC16H27FN2O
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Name3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol
SMILESCCN(CCCN(C)C)CCC(O)c1cccc(F)c1
InChIInChI=1S/C16H27FN2O/c1-4-19(11-6-10-18(2)3)12-9-16(20)14-7-5-8-15(17)13-14/h5,7-8,13,16,20H,4,6,9-12H2,1-3H3
InChIKeyWGSOHKUXXHMFAK-UHFFFAOYSA-N
XLogP2.52
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628587
3-[ethyl(pyridin-4-ylmethyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628781
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
1-(2-chlorophenyl)-3-[3-(dimethylamino)propyl-ethylamino]propan-1-ol
CID 102997275
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol
CID 55098979
N'-butyl-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644965
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62630682
(1S)-1-(3-fluorophenyl)-5,5-dimethylhexan-1-ol;hydrochloride
CID 158976565
3-(dimethylamino)-1-(3-ethylphenyl)propan-1-ol
CID 115346033
3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 55099258

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol (CID 102997262) is 3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol is CCN(CCCN(C)C)CCC(O)c1cccc(F)c1.
What is the InChIKey of 3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is WGSOHKUXXHMFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O/c1-4-19(11-6-10-18(2)3)12-9-16(20)14-7-5-8-15(17)13-14/h5,7-8,13,16,20H,4,6,9-12H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol?
3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 282.40 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-ethylamino]-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 102997262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).