3-benzhydryloxy-N,N-diethylbutan-1-amine

C21H29NO — CID 3098094

IUPAC3-benzhydryloxy-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCC(C)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO/c1-4-22(5-2)17-16-18(3)23-21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,4-5,16-17H2,1-3H3
InChIKeyXXCWBAVZJKEYFK-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.91
Rot. Bonds9

About 3-benzhydryloxy-N,N-diethylbutan-1-amine

3-benzhydryloxy-N,N-diethylbutan-1-amine (PubChem CID 3098094) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-benzhydryloxy-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name3-benzhydryloxy-N,N-diethylbutan-1-amine
PubChem CID3098094
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name3-benzhydryloxy-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCC(C)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO/c1-4-22(5-2)17-16-18(3)23-21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,4-5,16-17H2,1-3H3
InChIKeyXXCWBAVZJKEYFK-UHFFFAOYSA-N
XLogP4.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryloxy-N,N-diethylbutan-1-amine?
The IUPAC name of 3-benzhydryloxy-N,N-diethylbutan-1-amine (CID 3098094) is 3-benzhydryloxy-N,N-diethylbutan-1-amine.
What is the SMILES notation for 3-benzhydryloxy-N,N-diethylbutan-1-amine?
The canonical SMILES for 3-benzhydryloxy-N,N-diethylbutan-1-amine is CCN(CC)CCC(C)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryloxy-N,N-diethylbutan-1-amine?
The InChIKey is XXCWBAVZJKEYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-4-22(5-2)17-16-18(3)23-21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,4-5,16-17H2,1-3H3.
What are the key properties of 3-benzhydryloxy-N,N-diethylbutan-1-amine?
3-benzhydryloxy-N,N-diethylbutan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryloxy-N,N-diethylbutan-1-amine is sourced from PubChem (CID 3098094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).