2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol

C16H25NO — CID 112633301

IUPAC2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
SMILESCC(CCc1ccccc1)NC1CC(O)C1(C)C
InChIInChI=1S/C16H25NO/c1-12(9-10-13-7-5-4-6-8-13)17-14-11-15(18)16(14,2)3/h4-8,12,14-15,17-18H,9-11H2,1-3H3
InChIKeyXFJNPNPWBUSINJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.76
Rot. Bonds5

About 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol

2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol (PubChem CID 112633301) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
PubChem CID112633301
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
SMILESCC(CCc1ccccc1)NC1CC(O)C1(C)C
InChIInChI=1S/C16H25NO/c1-12(9-10-13-7-5-4-6-8-13)17-14-11-15(18)16(14,2)3/h4-8,12,14-15,17-18H,9-11H2,1-3H3
InChIKeyXFJNPNPWBUSINJ-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
CID 112633261
2,2-dimethyl-3-(4-methylsulfanylbutan-2-ylamino)cyclobutan-1-ol
CID 115976765
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
(1R,4S)-1,3,3-trimethyl-N-(4-phenylbutan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 115400384
3-[[2-(dimethylamino)-1-phenylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 112633286
3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol
CID 112633908
N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
CID 115676382
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
CID 106126000
1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine
CID 43511639
N-(4-phenylbutan-2-yl)oxolan-3-amine
CID 63331840
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol (CID 112633301) is 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol is CC(CCc1ccccc1)NC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol?
The InChIKey is XFJNPNPWBUSINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(9-10-13-7-5-4-6-8-13)17-14-11-15(18)16(14,2)3/h4-8,12,14-15,17-18H,9-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol?
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol is sourced from PubChem (CID 112633301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).