3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol

C12H18N2O — CID 82395841

IUPAC3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1cccc(C(N)C2(O)CCNC2)c1
InChIInChI=1S/C12H18N2O/c1-9-3-2-4-10(7-9)11(13)12(15)5-6-14-8-12/h2-4,7,11,14-15H,5-6,8,13H2,1H3
InChIKeyCPZPFYZYCNKCGD-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.72
Rot. Bonds2

About 3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol

3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 82395841) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol
PubChem CID82395841
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1cccc(C(N)C2(O)CCNC2)c1
InChIInChI=1S/C12H18N2O/c1-9-3-2-4-10(7-9)11(13)12(15)5-6-14-8-12/h2-4,7,11,14-15H,5-6,8,13H2,1H3
InChIKeyCPZPFYZYCNKCGD-UHFFFAOYSA-N
XLogP0.72
TPSA58.28 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 ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
3-[(3-methylanilino)methyl]pyrrolidin-3-ol
CID 105459326
3-[amino-(3-methylphenyl)methyl]oxetane-3-carboxylic acid
CID 116944657
(3-methylphenyl)-(1-phenylcyclopentyl)methanol
CID 63414399
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
2-amino-2-(3-methylphenyl)-1-piperazin-1-ylethanone
CID 82510307
1-[fluoro-(3-methylphenyl)methyl]cyclopentan-1-amine
CID 105460948
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941309
1-[(R)-amino(phenyl)methyl]cycloheptan-1-ol
CID 22084843
(R)-[(2R)-5,5-dimethylpyrrolidin-2-yl]-(3-methylphenyl)methanol
CID 162391391
(1R)-2,2-dimethyl-1-(3-methylphenyl)propan-1-amine
CID 93312698
CID 156724864
CID 156724864

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol (CID 82395841) is 3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol is Cc1cccc(C(N)C2(O)CCNC2)c1.
What is the InChIKey of 3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is CPZPFYZYCNKCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-3-2-4-10(7-9)11(13)12(15)5-6-14-8-12/h2-4,7,11,14-15H,5-6,8,13H2,1H3.
What are the key properties of 3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol?
3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 206.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3-methylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 82395841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).