trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine

C13H19NO — CID 97041991

IUPACtrans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine
SMILESCN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C
InChIInChI=1S/C13H19NO/c1-13(2)11(14-3)9-12(13)15-10-7-5-4-6-8-10/h4-8,11-12,14H,9H2,1-3H3/t11-,12-/m1/s1
InChIKeyAUBPIXRPSSUKAZ-VXGBXAGGSA-N
MW205.30 g/mol
LogP2.45
Rot. Bonds3

About trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine

trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine (PubChem CID 97041991) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine
PubChem CID97041991
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nametrans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine
SMILESCN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C
InChIInChI=1S/C13H19NO/c1-13(2)11(14-3)9-12(13)15-10-7-5-4-6-8-10/h4-8,11-12,14H,9H2,1-3H3/t11-,12-/m1/s1
InChIKeyAUBPIXRPSSUKAZ-VXGBXAGGSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-2,2-dimethylcyclobutyl)oxybenzene
CID 66346516
3-(4-butan-2-ylphenoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 107669420
3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66352255
3-methoxy-N,2,2-trimethylcyclobutan-1-amine
CID 66357766
N,2,2-trimethyl-3-(2-methylquinolin-8-yl)oxycyclobutan-1-amine
CID 66357446
N,2,2-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)cyclobutan-1-amine
CID 66357591
3-(2-bromo-5-nitrophenoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 103013187
N-ethyl-3-(2-methoxyphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66358543
3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66358502
2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357331
3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66352890
3-(4-fluoro-2-nitrophenoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66350692

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine?
The IUPAC name of trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine (CID 97041991) is trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine?
The canonical SMILES for trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine is CN[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C.
What is the InChIKey of trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine?
The InChIKey is AUBPIXRPSSUKAZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)11(14-3)9-12(13)15-10-7-5-4-6-8-10/h4-8,11-12,14H,9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine?
trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N,2,2-trimethyl-3-phenoxycyclobutan-1-amine is sourced from PubChem (CID 97041991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).