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

C18H22N2O — CID 60943568

IUPAC2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol
SMILESCC(Nc1cccc(N2CCCC2)c1)c1ccccc1O
InChIInChI=1S/C18H22N2O/c1-14(17-9-2-3-10-18(17)21)19-15-7-6-8-16(13-15)20-11-4-5-12-20/h2-3,6-10,13-14,19,21H,4-5,11-12H2,1H3
InChIKeyIMUXHYBIMSHHOT-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.17
Rot. Bonds4

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

2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol (PubChem CID 60943568) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol
PubChem CID60943568
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol
SMILESCC(Nc1cccc(N2CCCC2)c1)c1ccccc1O
InChIInChI=1S/C18H22N2O/c1-14(17-9-2-3-10-18(17)21)19-15-7-6-8-16(13-15)20-11-4-5-12-20/h2-3,6-10,13-14,19,21H,4-5,11-12H2,1H3
InChIKeyIMUXHYBIMSHHOT-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

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60942943
N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 54863773
N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 106757576
N-[1-(3-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943943
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943708
N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43226933
N-[1-(2-fluorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43732210
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
N-phosphanyl-3-pyrrolidin-1-ylaniline
CID 59272549

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol?
The IUPAC name of 2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol (CID 60943568) is 2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol.
What is the SMILES notation for 2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol?
The canonical SMILES for 2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol is CC(Nc1cccc(N2CCCC2)c1)c1ccccc1O.
What is the InChIKey of 2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol?
The InChIKey is IMUXHYBIMSHHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(17-9-2-3-10-18(17)21)19-15-7-6-8-16(13-15)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 2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol?
2-[1-(3-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 2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol is sourced from PubChem (CID 60943568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).