1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol

C13H20N2O — CID 112624192

IUPAC1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol
SMILESCc1ccc(N)c(N2CCC(C(C)O)C2)c1
InChIInChI=1S/C13H20N2O/c1-9-3-4-12(14)13(7-9)15-6-5-11(8-15)10(2)16/h3-4,7,10-11,16H,5-6,8,14H2,1-2H3
InChIKeyRIJFRIJZDVSIHV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.78
Rot. Bonds2

About 1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol

1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol (PubChem CID 112624192) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol
PubChem CID112624192
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol
SMILESCc1ccc(N)c(N2CCC(C(C)O)C2)c1
InChIInChI=1S/C13H20N2O/c1-9-3-4-12(14)13(7-9)15-6-5-11(8-15)10(2)16/h3-4,7,10-11,16H,5-6,8,14H2,1-2H3
InChIKeyRIJFRIJZDVSIHV-UHFFFAOYSA-N
XLogP1.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.78
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-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624191
1-[1-(2-amino-4,5-dimethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 112624228
1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112624182
2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methylbenzonitrile
CID 106835908
1-[1-(2-amino-3,5-difluorophenyl)pyrrolidin-3-yl]ethanol
CID 112624251
2-[4-(1-hydroxyethyl)piperidin-1-yl]-5-methylbenzenecarbothioamide
CID 107929374
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850
1-[1-(4,6-diamino-3-chloro-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 103553396
4-methyl-2-(3-methylazetidin-1-yl)aniline
CID 112557819
6-amino-7-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 115964853
3-chloro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarbothioamide
CID 112625535
1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626029

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol (CID 112624192) is 1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol is Cc1ccc(N)c(N2CCC(C(C)O)C2)c1.
What is the InChIKey of 1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is RIJFRIJZDVSIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-3-4-12(14)13(7-9)15-6-5-11(8-15)10(2)16/h3-4,7,10-11,16H,5-6,8,14H2,1-2H3.
What are the key properties of 1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol?
1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-5-methylphenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).