(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine

C11H15N — CID 98233070

IUPAC(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine
SMILESC[C@H]1[C@H](N)C[C@@H]1c1ccccc1
InChIInChI=1S/C11H15N/c1-8-10(7-11(8)12)9-5-3-2-4-6-9/h2-6,8,10-11H,7,12H2,1H3/t8-,10+,11-/m1/s1
InChIKeyXQANGUZDPFHVLC-DVVUODLYSA-N
MW161.25 g/mol
LogP2.14
Rot. Bonds1

About (1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine

(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine (PubChem CID 98233070) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound Name(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine
PubChem CID98233070
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine
SMILESC[C@H]1[C@H](N)C[C@@H]1c1ccccc1
InChIInChI=1S/C11H15N/c1-8-10(7-11(8)12)9-5-3-2-4-6-9/h2-6,8,10-11H,7,12H2,1H3/t8-,10+,11-/m1/s1
InChIKeyXQANGUZDPFHVLC-DVVUODLYSA-N
XLogP2.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
3-(3-ethoxyphenyl)-2-methylcyclobutan-1-amine
CID 81415517
3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine
CID 81414919
2-methyl-3-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]cyclobutan-1-amine
CID 81415043
3-(1,3-dihydro-2-benzofuran-5-yl)-2-methylcyclobutan-1-amine
CID 81415884
2-methyl-3-(5-methylthiophen-3-yl)cyclobutan-1-amine
CID 131204186
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
(2S)-2,5-dimethyl-3-phenyloxolane
CID 59883452
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019
CID 75994277
CID 75994277

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine?
The IUPAC name of (1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine (CID 98233070) is (1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine.
What is the SMILES notation for (1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine?
The canonical SMILES for (1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine is C[C@H]1[C@H](N)C[C@@H]1c1ccccc1.
What is the InChIKey of (1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine?
The InChIKey is XQANGUZDPFHVLC-DVVUODLYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-10(7-11(8)12)9-5-3-2-4-6-9/h2-6,8,10-11H,7,12H2,1H3/t8-,10+,11-/m1/s1.
What are the key properties of (1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine?
(1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-2-methyl-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 98233070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).