2-amino-1,4-diphenylbutan-1-ol

C16H19NO — CID 10847700

IUPAC2-amino-1,4-diphenylbutan-1-ol
SMILESNC(CCc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H19NO/c17-15(12-11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12,17H2
InChIKeyREKXQWYSZYSQNP-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.68
Rot. Bonds5

About 2-amino-1,4-diphenylbutan-1-ol

2-amino-1,4-diphenylbutan-1-ol (PubChem CID 10847700) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-1,4-diphenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1,4-diphenylbutan-1-ol
PubChem CID10847700
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-amino-1,4-diphenylbutan-1-ol
SMILESNC(CCc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C16H19NO/c17-15(12-11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12,17H2
InChIKeyREKXQWYSZYSQNP-UHFFFAOYSA-N
XLogP2.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diamino-1-phenylbutan-1-ol
CID 83936523
3-amino-2-hydroxy-5-phenylpentanoic acid
CID 22182665
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol
CID 101011502
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126
2-(2-phenylethyl)propanediamide
CID 66660020
2-amino-1-phenyloctan-1-ol;hydrochloride
CID 138400765
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
2-amino-4-phenylbutan-1-ol
CID 159249603
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,4-diphenylbutan-1-ol?
The IUPAC name of 2-amino-1,4-diphenylbutan-1-ol (CID 10847700) is 2-amino-1,4-diphenylbutan-1-ol.
What is the SMILES notation for 2-amino-1,4-diphenylbutan-1-ol?
The canonical SMILES for 2-amino-1,4-diphenylbutan-1-ol is NC(CCc1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 2-amino-1,4-diphenylbutan-1-ol?
The InChIKey is REKXQWYSZYSQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c17-15(12-11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12,17H2.
What are the key properties of 2-amino-1,4-diphenylbutan-1-ol?
2-amino-1,4-diphenylbutan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,4-diphenylbutan-1-ol is sourced from PubChem (CID 10847700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).