3-[(3-methylanilino)methyl]pyrrolidin-3-ol

C12H18N2O — CID 105459326

IUPAC3-[(3-methylanilino)methyl]pyrrolidin-3-ol
SMILESCc1cccc(NCC2(O)CCNC2)c1
InChIInChI=1S/C12H18N2O/c1-10-3-2-4-11(7-10)14-9-12(15)5-6-13-8-12/h2-4,7,13-15H,5-6,8-9H2,1H3
InChIKeyOMEONLDBBANMEN-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.13
Rot. Bonds3

About 3-[(3-methylanilino)methyl]pyrrolidin-3-ol

3-[(3-methylanilino)methyl]pyrrolidin-3-ol (PubChem CID 105459326) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[(3-methylanilino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(3-methylanilino)methyl]pyrrolidin-3-ol
PubChem CID105459326
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[(3-methylanilino)methyl]pyrrolidin-3-ol
SMILESCc1cccc(NCC2(O)CCNC2)c1
InChIInChI=1S/C12H18N2O/c1-10-3-2-4-11(7-10)14-9-12(15)5-6-13-8-12/h2-4,7,13-15H,5-6,8-9H2,1H3
InChIKeyOMEONLDBBANMEN-UHFFFAOYSA-N
XLogP1.13
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
3-[(3-fluoroanilino)methyl]pyrrolidin-3-ol
CID 105464057
3-[(4-methoxyanilino)methyl]pyrrolidin-3-ol
CID 105479226
4-(anilinomethyl)piperidin-4-ol
CID 56773843
3-(anilinomethyl)azetidin-3-ol
CID 69111462
[4-(3-methylanilino)piperidin-4-yl]methanol;hydrochloride
CID 21193427
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
3-[(4-fluoroanilino)methyl]piperidin-3-ol
CID 105482018
3-hydroxy-N-(3-methylphenyl)piperidine-3-carboxamide
CID 84726978
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 120900928
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 114760850

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylanilino)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(3-methylanilino)methyl]pyrrolidin-3-ol (CID 105459326) is 3-[(3-methylanilino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(3-methylanilino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(3-methylanilino)methyl]pyrrolidin-3-ol is Cc1cccc(NCC2(O)CCNC2)c1.
What is the InChIKey of 3-[(3-methylanilino)methyl]pyrrolidin-3-ol?
The InChIKey is OMEONLDBBANMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-3-2-4-11(7-10)14-9-12(15)5-6-13-8-12/h2-4,7,13-15H,5-6,8-9H2,1H3.
What are the key properties of 3-[(3-methylanilino)methyl]pyrrolidin-3-ol?
3-[(3-methylanilino)methyl]pyrrolidin-3-ol has a molecular weight of 206.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylanilino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 105459326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).