trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol

C19H23NO — CID 137450440

IUPACtrans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol
SMILESC[C@@]1(O)CC[C@@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-19(21)13-12-18(19)20(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11,18,21H,12-15H2,1H3/t18-,19+/m0/s1
InChIKeyJCIVZWCEAUIDHN-RBUKOAKNSA-N
MW281.40 g/mol
LogP3.60
Rot. Bonds5

About trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol

trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol (PubChem CID 137450440) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol
PubChem CID137450440
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Nametrans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol
SMILESC[C@@]1(O)CC[C@@H]1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-19(21)13-12-18(19)20(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11,18,21H,12-15H2,1H3/t18-,19+/m0/s1
InChIKeyJCIVZWCEAUIDHN-RBUKOAKNSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol 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

N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine
CID 175131150
N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine
CID 130554815
4-(dibenzylamino)-1-methylcyclohexane-1-carboxylic acid
CID 171314831
trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816
4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
CID 175052692
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
2-[benzyl-[(1S,2S)-2-hydroxy-2-(1-phenylethenyl)cyclobutyl]amino]acetonitrile
CID 6711318
N,N-dibenzylcyclobutanamine
CID 70822586
1-[3-(dibenzylamino)-1-methylcyclopentyl]propan-1-one
CID 174737781
1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol
CID 129247626
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol?
The IUPAC name of trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol (CID 137450440) is trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol is C[C@@]1(O)CC[C@@H]1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol?
The InChIKey is JCIVZWCEAUIDHN-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(21)13-12-18(19)20(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17/h2-11,18,21H,12-15H2,1H3/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol?
trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol is sourced from PubChem (CID 137450440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).