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

C16H28N2O — CID 102994867

IUPAC(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(CC)CCCN(C)C
InChIInChI=1S/C16H28N2O/c1-5-16(19)14-10-7-8-11-15(14)18(6-2)13-9-12-17(3)4/h7-8,10-11,16,19H,5-6,9,12-13H2,1-4H3/t16-/m0/s1
InChIKeyGNRILBGXTQBQOF-INIZCTEOSA-N
MW264.41 g/mol
LogP2.91
Rot. Bonds8

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

(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol (PubChem CID 102994867) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol
PubChem CID102994867
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(CC)CCCN(C)C
InChIInChI=1S/C16H28N2O/c1-5-16(19)14-10-7-8-11-15(14)18(6-2)13-9-12-17(3)4/h7-8,10-11,16,19H,5-6,9,12-13H2,1-4H3/t16-/m0/s1
InChIKeyGNRILBGXTQBQOF-INIZCTEOSA-N
XLogP2.91
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]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

1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 103960311
(1R)-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]propan-1-ol
CID 113358997
N'-ethyl-N'-[2-(ethylaminomethyl)phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995262
1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
CID 112678854
N'-[2-(1-aminopropyl)phenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994199
(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
CID 78948192
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
CID 115995973
3-[3-(dimethylamino)propyl-ethylamino]pyridine-2-carbothioamide
CID 102993394
(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol
CID 107480997

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol (CID 102994867) is (1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N(CC)CCCN(C)C.
What is the InChIKey of (1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol?
The InChIKey is GNRILBGXTQBQOF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-16(19)14-10-7-8-11-15(14)18(6-2)13-9-12-17(3)4/h7-8,10-11,16,19H,5-6,9,12-13H2,1-4H3/t16-/m0/s1.
What are the key properties of (1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol?
(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol is sourced from PubChem (CID 102994867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).