4-(3-amino-1-benzylpyrrolidin-2-yl)phenol

C17H20N2O — CID 82379506

IUPAC4-(3-amino-1-benzylpyrrolidin-2-yl)phenol
SMILESNC1CCN(Cc2ccccc2)C1c1ccc(O)cc1
InChIInChI=1S/C17H20N2O/c18-16-10-11-19(12-13-4-2-1-3-5-13)17(16)14-6-8-15(20)9-7-14/h1-9,16-17,20H,10-12,18H2
InChIKeyAJDRRAFMTMIHBY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.67
Rot. Bonds3

About 4-(3-amino-1-benzylpyrrolidin-2-yl)phenol

4-(3-amino-1-benzylpyrrolidin-2-yl)phenol (PubChem CID 82379506) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(3-amino-1-benzylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name4-(3-amino-1-benzylpyrrolidin-2-yl)phenol
PubChem CID82379506
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-(3-amino-1-benzylpyrrolidin-2-yl)phenol
SMILESNC1CCN(Cc2ccccc2)C1c1ccc(O)cc1
InChIInChI=1S/C17H20N2O/c18-16-10-11-19(12-13-4-2-1-3-5-13)17(16)14-6-8-15(20)9-7-14/h1-9,16-17,20H,10-12,18H2
InChIKeyAJDRRAFMTMIHBY-UHFFFAOYSA-N
XLogP2.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69396250
[1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol
CID 168870314
(3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
CID 162367950
benzyl (2S,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 59730574
benzyl (2R,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 56926800
ethyl 2-[(2S,3S,4S)-1-benzyl-3-formyl-2-phenylpiperidin-4-yl]acetate
CID 132532994
(2R)-1-benzylpiperidin-2-amine
CID 97050484
(3aR,6S,6aR)-4-benzyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-amine
CID 57017760
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
1-benzyl-4-(4-hydroxyphenyl)piperidine-3,5-diol
CID 22127210
ethyl 2-[(2S,3R,4S)-1-benzyl-2-(4-methoxyphenyl)-3-nitropiperidin-4-yl]acetate
CID 132533004

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1-benzylpyrrolidin-2-yl)phenol?
The IUPAC name of 4-(3-amino-1-benzylpyrrolidin-2-yl)phenol (CID 82379506) is 4-(3-amino-1-benzylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 4-(3-amino-1-benzylpyrrolidin-2-yl)phenol?
The canonical SMILES for 4-(3-amino-1-benzylpyrrolidin-2-yl)phenol is NC1CCN(Cc2ccccc2)C1c1ccc(O)cc1.
What is the InChIKey of 4-(3-amino-1-benzylpyrrolidin-2-yl)phenol?
The InChIKey is AJDRRAFMTMIHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-16-10-11-19(12-13-4-2-1-3-5-13)17(16)14-6-8-15(20)9-7-14/h1-9,16-17,20H,10-12,18H2.
What are the key properties of 4-(3-amino-1-benzylpyrrolidin-2-yl)phenol?
4-(3-amino-1-benzylpyrrolidin-2-yl)phenol has a molecular weight of 268.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1-benzylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 82379506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).