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

C16H26N2O — CID 112633286

IUPAC3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCN(C)CC(NC1CC(O)C1(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-16(2)14(10-15(16)19)17-13(11-18(3)4)12-8-6-5-7-9-12/h5-9,13-15,17,19H,10-11H2,1-4H3
InChIKeyYZRNBLCPUFQNNK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.04
Rot. Bonds5

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

3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633286) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID112633286
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
SMILESCN(C)CC(NC1CC(O)C1(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-16(2)14(10-15(16)19)17-13(11-18(3)4)12-8-6-5-7-9-12/h5-9,13-15,17,19H,10-11H2,1-4H3
InChIKeyYZRNBLCPUFQNNK-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)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol with MolForge

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Related Compounds

3-[[2-(dimethylamino)-2-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 112633243
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid
CID 112633963
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 106658098
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
CID 112633301
N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 64774961
N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 43079693
3-[2-[(dimethylamino)methyl]anilino]-2,2-dimethylcyclobutan-1-ol
CID 112633731
N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine
CID 79724005
3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633910
N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768402
2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol
CID 103948496
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide
CID 114629642

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol (CID 112633286) is 3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol is CN(C)CC(NC1CC(O)C1(C)C)c1ccccc1.
What is the InChIKey of 3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is YZRNBLCPUFQNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2)14(10-15(16)19)17-13(11-18(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)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol?
3-[[2-(dimethylamino)-1-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)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).