[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol

C12H18N2O — CID 61410897

IUPAC[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol
SMILESCc1cc(N)ccc1N1CCCC1CO
InChIInChI=1S/C12H18N2O/c1-9-7-10(13)4-5-12(9)14-6-2-3-11(14)8-15/h4-5,7,11,15H,2-3,6,8,13H2,1H3
InChIKeyDIIMPWNGKUFPAM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.54
Rot. Bonds2

About [1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol

[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol (PubChem CID 61410897) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol
PubChem CID61410897
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol
SMILESCc1cc(N)ccc1N1CCCC1CO
InChIInChI=1S/C12H18N2O/c1-9-7-10(13)4-5-12(9)14-6-2-3-11(14)8-15/h4-5,7,11,15H,2-3,6,8,13H2,1H3
InChIKeyDIIMPWNGKUFPAM-UHFFFAOYSA-N
XLogP1.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol
CID 66093339
[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 69305279
[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol
CID 62121883
[1-(4-amino-2-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777305
4-[2-(hydroxymethyl)piperidin-1-yl]-3-methylbenzaldehyde
CID 62122634
5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide
CID 61407227
(4-amino-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94007740
1-(4-amino-2-methylphenyl)azepane-2-carbaldehyde
CID 174467789
[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol
CID 62121881
4-(2-ethylpyrrolidin-1-yl)-3-iodoaniline
CID 66094979
[1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 80731616
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol (CID 61410897) is [1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol is Cc1cc(N)ccc1N1CCCC1CO.
What is the InChIKey of [1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol?
The InChIKey is DIIMPWNGKUFPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-7-10(13)4-5-12(9)14-6-2-3-11(14)8-15/h4-5,7,11,15H,2-3,6,8,13H2,1H3.
What are the key properties of [1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol?
[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol has a molecular weight of 206.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 61410897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).