(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol

C14H24N2O — CID 78948192

IUPAC(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1N(C)CCCN(C)C
InChIInChI=1S/C14H24N2O/c1-12(17)13-8-5-6-9-14(13)16(4)11-7-10-15(2)3/h5-6,8-9,12,17H,7,10-11H2,1-4H3/t12-/m1/s1
InChIKeyRGRCHRYYXDPOKP-GFCCVEGCSA-N
MW236.36 g/mol
LogP2.13
Rot. Bonds6

About (1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol

(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol (PubChem CID 78948192) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
PubChem CID78948192
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1N(C)CCCN(C)C
InChIInChI=1S/C14H24N2O/c1-12(17)13-8-5-6-9-14(13)16(4)11-7-10-15(2)3/h5-6,8-9,12,17H,7,10-11H2,1-4H3/t12-/m1/s1
InChIKeyRGRCHRYYXDPOKP-GFCCVEGCSA-N
XLogP2.13
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
CID 63370824
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909
4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol
CID 104869306
(1S)-1-[2-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65486288
1-[2-[3-(dimethylamino)propyl-methylamino]-6-fluorophenyl]ethanol
CID 55226767
1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79386807
(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
N'-methyl-N'-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 28772740
2-(N-methyl-2-propan-2-ylanilino)ethanol
CID 22718340
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol
CID 102994867
(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63371150

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol (CID 78948192) is (1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol is C[C@@H](O)c1ccccc1N(C)CCCN(C)C.
What is the InChIKey of (1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol?
The InChIKey is RGRCHRYYXDPOKP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(17)13-8-5-6-9-14(13)16(4)11-7-10-15(2)3/h5-6,8-9,12,17H,7,10-11H2,1-4H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol?
(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol has a molecular weight of 236.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 78948192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).