2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol

C13H20N2O — CID 114796967

IUPAC2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
SMILESCc1cc(N2CCC(CCO)C2)ccc1N
InChIInChI=1S/C13H20N2O/c1-10-8-12(2-3-13(10)14)15-6-4-11(9-15)5-7-16/h2-3,8,11,16H,4-7,9,14H2,1H3
InChIKeyHVJQURIATFJPKE-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.79
Rot. Bonds3

About 2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol

2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol (PubChem CID 114796967) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
PubChem CID114796967
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
SMILESCc1cc(N2CCC(CCO)C2)ccc1N
InChIInChI=1S/C13H20N2O/c1-10-8-12(2-3-13(10)14)15-6-4-11(9-15)5-7-16/h2-3,8,11,16H,4-7,9,14H2,1H3
InChIKeyHVJQURIATFJPKE-UHFFFAOYSA-N
XLogP1.79
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
CID 106751244
4-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylaniline
CID 68975851
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445
2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
CID 114796856
2-[2-amino-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]acetonitrile
CID 102624752
2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114796912
2-methyl-4-(3-propylazetidin-1-yl)aniline
CID 79689114
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
CID 83981690
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
1-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624191
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107226950

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol (CID 114796967) is 2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol is Cc1cc(N2CCC(CCO)C2)ccc1N.
What is the InChIKey of 2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is HVJQURIATFJPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-8-12(2-3-13(10)14)15-6-4-11(9-15)5-7-16/h2-3,8,11,16H,4-7,9,14H2,1H3.
What are the key properties of 2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol?
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114796967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).