4,4-diphenylbutan-1-amine

C16H19N — CID 3015863

IUPAC4,4-diphenylbutan-1-amine
SMILESNCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,17H2
InChIKeyMAAQGZFMFXQVOG-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.56
Rot. Bonds5

About 4,4-diphenylbutan-1-amine

4,4-diphenylbutan-1-amine (PubChem CID 3015863) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 4,4-diphenylbutan-1-amine.

Molecular Properties

Compound Name4,4-diphenylbutan-1-amine
PubChem CID3015863
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name4,4-diphenylbutan-1-amine
SMILESNCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,17H2
InChIKeyMAAQGZFMFXQVOG-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-diphenylbutan-1-amine?
The IUPAC name of 4,4-diphenylbutan-1-amine (CID 3015863) is 4,4-diphenylbutan-1-amine.
What is the SMILES notation for 4,4-diphenylbutan-1-amine?
The canonical SMILES for 4,4-diphenylbutan-1-amine is NCCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-diphenylbutan-1-amine?
The InChIKey is MAAQGZFMFXQVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,17H2.
What are the key properties of 4,4-diphenylbutan-1-amine?
4,4-diphenylbutan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenylbutan-1-amine is sourced from PubChem (CID 3015863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).