3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol

C16H26N2O — CID 112633243

IUPAC3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCN(C)C(CNC1CC(O)C1(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-16(2)14(10-15(16)19)17-11-13(18(3)4)12-8-6-5-7-9-12/h5-9,13-15,17,19H,10-11H2,1-4H3
InChIKeyJDEOCKSATUTOHI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.04
Rot. Bonds5

About 3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol

3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633243) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID112633243
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCN(C)C(CNC1CC(O)C1(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-16(2)14(10-15(16)19)17-11-13(18(3)4)12-8-6-5-7-9-12/h5-9,13-15,17,19H,10-11H2,1-4H3
InChIKeyJDEOCKSATUTOHI-UHFFFAOYSA-N
XLogP2.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol with MolForge

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Related Compounds

3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 112633286
benzyl 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoate
CID 106484201
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid
CID 112633963
2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
CID 112633261
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 115976768
3-[2-[cyclopropyl(methyl)amino]propylamino]-2,2-dimethylcyclobutan-1-ol
CID 103952016
2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol
CID 166383064
N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 64774136
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide
CID 114629642
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114629454
N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine
CID 43665443
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol (CID 112633243) is 3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol is CN(C)C(CNC1CC(O)C1(C)C)c1ccccc1.
What is the InChIKey of 3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is JDEOCKSATUTOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2)14(10-15(16)19)17-11-13(18(3)4)12-8-6-5-7-9-12/h5-9,13-15,17,19H,10-11H2,1-4H3.
What are the key properties of 3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol?
3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).