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

C16H19NO — CID 67777000

IUPAC3-(N-phenylanilino)butan-1-ol
SMILESCC(CCO)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-14(12-13-18)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3
InChIKeyVYGFJPOJILWPQU-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.60
Rot. Bonds5

About 3-(N-phenylanilino)butan-1-ol

3-(N-phenylanilino)butan-1-ol (PubChem CID 67777000) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(N-phenylanilino)butan-1-ol.

Molecular Properties

Compound Name3-(N-phenylanilino)butan-1-ol
PubChem CID67777000
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-(N-phenylanilino)butan-1-ol
SMILESCC(CCO)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-14(12-13-18)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3
InChIKeyVYGFJPOJILWPQU-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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Related Compounds

(1S)-1-(N-ethylanilino)propane-1,3-diol
CID 124514584
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
CID 139888641
2-(N-methylanilino)butane-1,4-diol
CID 19050625
2-[methanidyl(1-phenylethyl)amino]ethanol
CID 123296934
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
N-nonadecan-10-yl-N-phenylaniline
CID 175110004
1-phenylpropane-1,3-diol
CID 572059
3-methylbutan-1-ol;phenol;ytterbium
CID 139987500
[4-[N-(4-phenylbutan-2-yl)anilino]phenyl] prop-2-enoate
CID 88981889
1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol
CID 15026090

Frequently Asked Questions

What is the IUPAC name of 3-(N-phenylanilino)butan-1-ol?
The IUPAC name of 3-(N-phenylanilino)butan-1-ol (CID 67777000) is 3-(N-phenylanilino)butan-1-ol.
What is the SMILES notation for 3-(N-phenylanilino)butan-1-ol?
The canonical SMILES for 3-(N-phenylanilino)butan-1-ol is CC(CCO)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(N-phenylanilino)butan-1-ol?
The InChIKey is VYGFJPOJILWPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-14(12-13-18)17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3.
What are the key properties of 3-(N-phenylanilino)butan-1-ol?
3-(N-phenylanilino)butan-1-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 3-(N-phenylanilino)butan-1-ol is sourced from PubChem (CID 67777000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).