2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol

C14H22N2O — CID 117341092

IUPAC2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol
SMILESCC(C)(N)Cc1cc(N2CCCC2)ccc1O
InChIInChI=1S/C14H22N2O/c1-14(2,15)10-11-9-12(5-6-13(11)17)16-7-3-4-8-16/h5-6,9,17H,3-4,7-8,10,15H2,1-2H3
InChIKeyPGHKMSVCGBBBQP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.27
Rot. Bonds3

About 2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol

2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol (PubChem CID 117341092) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol
PubChem CID117341092
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol
SMILESCC(C)(N)Cc1cc(N2CCCC2)ccc1O
InChIInChI=1S/C14H22N2O/c1-14(2,15)10-11-9-12(5-6-13(11)17)16-7-3-4-8-16/h5-6,9,17H,3-4,7-8,10,15H2,1-2H3
InChIKeyPGHKMSVCGBBBQP-UHFFFAOYSA-N
XLogP2.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminooxymethyl)-4-pyrrolidin-1-ylphenol
CID 117297782
2,4-di(piperidin-1-yl)phenol
CID 130450866
2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide
CID 154577359
4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117368692
1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine
CID 117379877
3-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2,2-dimethylpropanoic acid
CID 117444495
2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol
CID 117405590
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
(2-methoxy-5-piperidin-1-ylphenyl)methanol
CID 70229498
1-[3-(fluoromethyl)-4-methylphenyl]piperidine
CID 174505222
4-(4-tert-butylpiperazin-1-yl)-2-methylphenol
CID 164764153
[4-(azepan-1-yl)-2-methylphenyl]methanol
CID 62136548

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol?
The IUPAC name of 2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol (CID 117341092) is 2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol?
The canonical SMILES for 2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol is CC(C)(N)Cc1cc(N2CCCC2)ccc1O.
What is the InChIKey of 2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol?
The InChIKey is PGHKMSVCGBBBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,15)10-11-9-12(5-6-13(11)17)16-7-3-4-8-16/h5-6,9,17H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol?
2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol has a molecular weight of 234.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol is sourced from PubChem (CID 117341092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).