(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol

C16H26N2O — CID 105415596

IUPAC(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H26N2O/c1-13(19)14-8-5-6-9-15(14)18(4)12-16(17(2)3)10-7-11-16/h5-6,8-9,13,19H,7,10-12H2,1-4H3/t13-/m0/s1
InChIKeyZUERQHWVCFIBGY-ZDUSSCGKSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds5

About (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol

(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol (PubChem CID 105415596) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol
PubChem CID105415596
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H26N2O/c1-13(19)14-8-5-6-9-15(14)18(4)12-16(17(2)3)10-7-11-16/h5-6,8-9,13,19H,7,10-12H2,1-4H3/t13-/m0/s1
InChIKeyZUERQHWVCFIBGY-ZDUSSCGKSA-N
XLogP2.66
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-2-[4-(2-fluorophenyl)piperazino]-1-ethanol
CID 2766998
1-Phenyl-2-(4-phenylpiperazino)-1-ethanol
CID 247570
(2-(4-Methylpiperazin-1-yl)phenyl)methanol
CID 2795567
10-Hydroxyimipramine
CID 160545
1-(4-(Dimethylamino)phenyl)ethan-1-ol
CID 220541
3-(4-(4-Fluorophenyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 10805222
Phenyl-[3-(4-o-tolyl-piperazin-1-ylmethyl)-phenyl]-methanol
CID 44355601
Cyclohexyl-[3-(4-o-tolyl-piperazin-1-ylmethyl)-phenyl]-methanol
CID 44355621
2-Methyl-1-[3-(4-o-tolyl-piperazin-1-ylmethyl)-phenyl]-propan-1-ol
CID 44355634
Phenyl-[2-(4-o-tolyl-piperazin-1-ylmethyl)-phenyl]-methanol
CID 44355800
1-[2-(4-o-Tolyl-piperazin-1-ylmethyl)-phenyl]-ethanol
CID 44356018
(1S)-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-ol
CID 71458565

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol (CID 105415596) is (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol is C[C@H](O)c1ccccc1N(C)CC1(N(C)C)CCC1.
What is the InChIKey of (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol?
The InChIKey is ZUERQHWVCFIBGY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(19)14-8-5-6-9-15(14)18(4)12-16(17(2)3)10-7-11-16/h5-6,8-9,13,19H,7,10-12H2,1-4H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol?
(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 105415596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).