2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol

C18H29NO — CID 115972200

IUPAC2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol
SMILESCC(C)Cc1ccc(C(C)NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C18H29NO/c1-12(2)10-14-6-8-15(9-7-14)13(3)19-16-11-17(20)18(16,4)5/h6-9,12-13,16-17,19-20H,10-11H2,1-5H3
InChIKeyKWLDAAKMJKRTCW-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.70
Rot. Bonds5

About 2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol

2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol (PubChem CID 115972200) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol
PubChem CID115972200
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol
SMILESCC(C)Cc1ccc(C(C)NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C18H29NO/c1-12(2)10-14-6-8-15(9-7-14)13(3)19-16-11-17(20)18(16,4)5/h6-9,12-13,16-17,19-20H,10-11H2,1-5H3
InChIKeyKWLDAAKMJKRTCW-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol
CID 103952229
4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol
CID 114629015
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633776
3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 113372086
2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
CID 112633394
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
CID 112633301
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
CID 115977773
2-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-5-methylphenol
CID 114629009
N-[1-(4-chlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64688345
N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852750
2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine
CID 43101166

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol (CID 115972200) is 2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol is CC(C)Cc1ccc(C(C)NC2CC(O)C2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol?
The InChIKey is KWLDAAKMJKRTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12(2)10-14-6-8-15(9-7-14)13(3)19-16-11-17(20)18(16,4)5/h6-9,12-13,16-17,19-20H,10-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.70, 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-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol is sourced from PubChem (CID 115972200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).