2-[(2-pyrrolidin-1-ylanilino)methyl]phenol

C17H20N2O — CID 43684216

IUPAC2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
SMILESOc1ccccc1CNc1ccccc1N1CCCC1
InChIInChI=1S/C17H20N2O/c20-17-10-4-1-7-14(17)13-18-15-8-2-3-9-16(15)19-11-5-6-12-19/h1-4,7-10,18,20H,5-6,11-13H2
InChIKeyLXUOAXNFDYNHDD-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.60
Rot. Bonds4

About 2-[(2-pyrrolidin-1-ylanilino)methyl]phenol

2-[(2-pyrrolidin-1-ylanilino)methyl]phenol (PubChem CID 43684216) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(2-pyrrolidin-1-ylanilino)methyl]phenol.

Molecular Properties

Compound Name2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
PubChem CID43684216
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
SMILESOc1ccccc1CNc1ccccc1N1CCCC1
InChIInChI=1S/C17H20N2O/c20-17-10-4-1-7-14(17)13-18-15-8-2-3-9-16(15)19-11-5-6-12-19/h1-4,7-10,18,20H,5-6,11-13H2
InChIKeyLXUOAXNFDYNHDD-UHFFFAOYSA-N
XLogP3.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 61390907
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 102141115
2-[(2-pyrrolidin-1-ylphenyl)methyl]phenol
CID 13201564
2-[(2-pyrrolidin-1-ylphenyl)methylamino]benzonitrile
CID 43762376
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369
6-[(2-piperidin-1-ylanilino)methyl]pyridin-3-ol
CID 79781647
2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408273
4-[(2-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 43231332
N-[(5-chlorofuran-2-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 60780218
N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline
CID 29032842
2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43758691
N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 43684265

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrrolidin-1-ylanilino)methyl]phenol?
The IUPAC name of 2-[(2-pyrrolidin-1-ylanilino)methyl]phenol (CID 43684216) is 2-[(2-pyrrolidin-1-ylanilino)methyl]phenol.
What is the SMILES notation for 2-[(2-pyrrolidin-1-ylanilino)methyl]phenol?
The canonical SMILES for 2-[(2-pyrrolidin-1-ylanilino)methyl]phenol is Oc1ccccc1CNc1ccccc1N1CCCC1.
What is the InChIKey of 2-[(2-pyrrolidin-1-ylanilino)methyl]phenol?
The InChIKey is LXUOAXNFDYNHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17-10-4-1-7-14(17)13-18-15-8-2-3-9-16(15)19-11-5-6-12-19/h1-4,7-10,18,20H,5-6,11-13H2.
What are the key properties of 2-[(2-pyrrolidin-1-ylanilino)methyl]phenol?
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyrrolidin-1-ylanilino)methyl]phenol is sourced from PubChem (CID 43684216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).