3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol

C18H22N2O — CID 43684258

IUPAC3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol
SMILESCC(Nc1ccccc1N1CCCC1)c1cccc(O)c1
InChIInChI=1S/C18H22N2O/c1-14(15-7-6-8-16(21)13-15)19-17-9-2-3-10-18(17)20-11-4-5-12-20/h2-3,6-10,13-14,19,21H,4-5,11-12H2,1H3
InChIKeyVBIBBHXPZDXJAK-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.17
Rot. Bonds4

About 3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol

3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol (PubChem CID 43684258) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol
PubChem CID43684258
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol
SMILESCC(Nc1ccccc1N1CCCC1)c1cccc(O)c1
InChIInChI=1S/C18H22N2O/c1-14(15-7-6-8-16(21)13-15)19-17-9-2-3-10-18(17)20-11-4-5-12-20/h2-3,6-10,13-14,19,21H,4-5,11-12H2,1H3
InChIKeyVBIBBHXPZDXJAK-UHFFFAOYSA-N
XLogP4.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]phenol
CID 43676485
3-[1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]phenol
CID 43192226
3-[1-(2-bromo-3-chloroanilino)ethyl]phenol
CID 103477986
3-[1-(2-propylanilino)ethyl]phenol
CID 43687423
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline
CID 104652371
2-morpholin-4-yl-N-(1-pyridin-4-ylethyl)aniline
CID 43717239
2-[1-(3-hydroxyphenyl)ethylamino]-N,N-dimethylbenzamide
CID 43738358
N-methyl-2-pyrrolidin-1-ylaniline;hydrochloride
CID 174970195
N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline
CID 43781177
N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43684228
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol?
The IUPAC name of 3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol (CID 43684258) is 3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol.
What is the SMILES notation for 3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol?
The canonical SMILES for 3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol is CC(Nc1ccccc1N1CCCC1)c1cccc(O)c1.
What is the InChIKey of 3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol?
The InChIKey is VBIBBHXPZDXJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(15-7-6-8-16(21)13-15)19-17-9-2-3-10-18(17)20-11-4-5-12-20/h2-3,6-10,13-14,19,21H,4-5,11-12H2,1H3.
What are the key properties of 3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol?
3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol has a molecular weight of 282.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol is sourced from PubChem (CID 43684258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).