(3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol

C12H18N2O — CID 126847034

IUPAC(3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol
SMILESCc1cc(C)cc(N[C@@H]2CNC[C@H]2O)c1
InChIInChI=1S/C12H18N2O/c1-8-3-9(2)5-10(4-8)14-11-6-13-7-12(11)15/h3-5,11-15H,6-7H2,1-2H3/t11-,12-/m1/s1
InChIKeyACSAGVQFYKSBHN-VXGBXAGGSA-N
MW206.29 g/mol
LogP1.05
Rot. Bonds2

About (3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol

(3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol (PubChem CID 126847034) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol
PubChem CID126847034
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol
SMILESCc1cc(C)cc(N[C@@H]2CNC[C@H]2O)c1
InChIInChI=1S/C12H18N2O/c1-8-3-9(2)5-10(4-8)14-11-6-13-7-12(11)15/h3-5,11-15H,6-7H2,1-2H3/t11-,12-/m1/s1
InChIKeyACSAGVQFYKSBHN-VXGBXAGGSA-N
XLogP1.05
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-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

2-(3,5-dimethylanilino)cyclobutan-1-ol
CID 126856717
(3S,4S)-4-(methylamino)pyrrolidin-3-ol
CID 59440456
(3S,4S)-4-(4-amino-2-methoxyanilino)pyrrolidin-3-ol
CID 124637391
(3R,4S)-4-(4-amino-2-methoxyanilino)pyrrolidin-3-ol
CID 124637393
3-(3-amino-5-methylanilino)cyclobutan-1-ol
CID 112647990
N-(2-ethylcyclohexyl)-3,5-dimethylaniline
CID 63863762
N-(2,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64775359
5-methyl-3-N-(2-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 112648163
4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol
CID 170079208
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2,4,5-trimethylbenzamide;hydrochloride
CID 154910936
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
CID 58396031
(3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol
CID 67441137

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol (CID 126847034) is (3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol is Cc1cc(C)cc(N[C@@H]2CNC[C@H]2O)c1.
What is the InChIKey of (3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol?
The InChIKey is ACSAGVQFYKSBHN-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-3-9(2)5-10(4-8)14-11-6-13-7-12(11)15/h3-5,11-15H,6-7H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol?
(3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol has a molecular weight of 206.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3,5-dimethylanilino)pyrrolidin-3-ol is sourced from PubChem (CID 126847034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).