1-(N-phenylanilino)butan-2-ol

C16H19NO — CID 4122647

IUPAC1-(N-phenylanilino)butan-2-ol
SMILESCCC(O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-2-16(18)13-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3
InChIKeyYZZSIMVPPVUDRL-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.60
Rot. Bonds5

About 1-(N-phenylanilino)butan-2-ol

1-(N-phenylanilino)butan-2-ol (PubChem CID 4122647) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(N-phenylanilino)butan-2-ol.

Molecular Properties

Compound Name1-(N-phenylanilino)butan-2-ol
PubChem CID4122647
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(N-phenylanilino)butan-2-ol
SMILESCCC(O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-2-16(18)13-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3
InChIKeyYZZSIMVPPVUDRL-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(N-phenylanilino)butan-2-ol?
The IUPAC name of 1-(N-phenylanilino)butan-2-ol (CID 4122647) is 1-(N-phenylanilino)butan-2-ol.
What is the SMILES notation for 1-(N-phenylanilino)butan-2-ol?
The canonical SMILES for 1-(N-phenylanilino)butan-2-ol is CCC(O)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(N-phenylanilino)butan-2-ol?
The InChIKey is YZZSIMVPPVUDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-16(18)13-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3.
What are the key properties of 1-(N-phenylanilino)butan-2-ol?
1-(N-phenylanilino)butan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-phenylanilino)butan-2-ol is sourced from PubChem (CID 4122647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).