(3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol

C13H19NO — CID 125426712

IUPAC(3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol
SMILESCc1cccc([C@]2(O)CN(C)C[C@@H]2C)c1
InChIInChI=1S/C13H19NO/c1-10-5-4-6-12(7-10)13(15)9-14(3)8-11(13)2/h4-7,11,15H,8-9H2,1-3H3/t11-,13-/m0/s1
InChIKeyJCXDJNFSKKWOCZ-AAEUAGOBSA-N
MW205.30 g/mol
LogP1.76
Rot. Bonds1

About (3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol

(3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol (PubChem CID 125426712) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol
PubChem CID125426712
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol
SMILESCc1cccc([C@]2(O)CN(C)C[C@@H]2C)c1
InChIInChI=1S/C13H19NO/c1-10-5-4-6-12(7-10)13(15)9-14(3)8-11(13)2/h4-7,11,15H,8-9H2,1-3H3/t11-,13-/m0/s1
InChIKeyJCXDJNFSKKWOCZ-AAEUAGOBSA-N
XLogP1.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1,3-dimethyl-4-(3-methylphenyl)piperidin-4-ol
CID 59263185
2-methyl-1-(3-methylphenyl)cyclopropan-1-ol
CID 79332542
(3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol
CID 125426094
trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
CID 124509204
1-benzyl-3-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 19095619
3-(3-chloro-5-methylphenyl)-1-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 142054708
1,3,5-trimethyl-4-phenylpiperidin-4-ol;hydrochloride
CID 126467809
3-(3-methylphenyl)-1-propan-2-ylazetidin-3-ol
CID 176766940
(1R,8aR)-1-(3-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 27234418
(2S,4S,5S)-1,2,5-trimethyl-4-(4-methylphenyl)piperidin-4-ol
CID 11879284
2,7-dimethyl-5-(3-methylphenyl)-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
CID 163453306
1-(3-methylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449876

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol (CID 125426712) is (3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol is Cc1cccc([C@]2(O)CN(C)C[C@@H]2C)c1.
What is the InChIKey of (3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol?
The InChIKey is JCXDJNFSKKWOCZ-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-5-4-6-12(7-10)13(15)9-14(3)8-11(13)2/h4-7,11,15H,8-9H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol?
(3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,4-dimethyl-3-(3-methylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 125426712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).