2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol

C17H29N3O — CID 79538338

IUPAC2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol
SMILESCCN(CCO)c1ccc(NC(C)CC2CCCN2)cc1
InChIInChI=1S/C17H29N3O/c1-3-20(11-12-21)17-8-6-15(7-9-17)19-14(2)13-16-5-4-10-18-16/h6-9,14,16,18-19,21H,3-5,10-13H2,1-2H3
InChIKeyGEOMIQZKEYXDSK-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.45
Rot. Bonds8

About 2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol

2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol (PubChem CID 79538338) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol
PubChem CID79538338
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol
SMILESCCN(CCO)c1ccc(NC(C)CC2CCCN2)cc1
InChIInChI=1S/C17H29N3O/c1-3-20(11-12-21)17-8-6-15(7-9-17)19-14(2)13-16-5-4-10-18-16/h6-9,14,16,18-19,21H,3-5,10-13H2,1-2H3
InChIKeyGEOMIQZKEYXDSK-UHFFFAOYSA-N
XLogP2.45
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 61178516
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
CID 79540902
2-[N-ethyl-4-(hexan-2-ylamino)anilino]ethanol
CID 54866191
2-[4-[ethyl(2-hydroxyethyl)amino]anilino]propanoic acid
CID 66174751
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
2-fluoro-1-N-methyl-1-N-propan-2-yl-4-N-(1-pyrrolidin-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79537461
ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate
CID 79537495
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
2-[4-(1,1-difluoropropan-2-ylamino)-N-ethylanilino]ethanol
CID 102869200

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol?
The IUPAC name of 2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol (CID 79538338) is 2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol is CCN(CCO)c1ccc(NC(C)CC2CCCN2)cc1.
What is the InChIKey of 2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol?
The InChIKey is GEOMIQZKEYXDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-20(11-12-21)17-8-6-15(7-9-17)19-14(2)13-16-5-4-10-18-16/h6-9,14,16,18-19,21H,3-5,10-13H2,1-2H3.
What are the key properties of 2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol?
2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol has a molecular weight of 291.44 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)anilino]ethanol is sourced from PubChem (CID 79538338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).