2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol

C16H26N2O — CID 81413196

IUPAC2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1ccccc1N1CCCC1
InChIInChI=1S/C16H26N2O/c1-3-16(2,13-19)12-17-14-8-4-5-9-15(14)18-10-6-7-11-18/h4-5,8-9,17,19H,3,6-7,10-13H2,1-2H3
InChIKeyUGYJTRRIKWGKNU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.11
Rot. Bonds6

About 2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol

2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol (PubChem CID 81413196) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol
PubChem CID81413196
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol
SMILESCCC(C)(CO)CNc1ccccc1N1CCCC1
InChIInChI=1S/C16H26N2O/c1-3-16(2,13-19)12-17-14-8-4-5-9-15(14)18-10-6-7-11-18/h4-5,8-9,17,19H,3,6-7,10-13H2,1-2H3
InChIKeyUGYJTRRIKWGKNU-UHFFFAOYSA-N
XLogP3.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol (CID 81413196) is 2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol is CCC(C)(CO)CNc1ccccc1N1CCCC1.
What is the InChIKey of 2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol?
The InChIKey is UGYJTRRIKWGKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-16(2,13-19)12-17-14-8-4-5-9-15(14)18-10-6-7-11-18/h4-5,8-9,17,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of 2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol?
2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-pyrrolidin-1-ylanilino)methyl]butan-1-ol is sourced from PubChem (CID 81413196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).