acetic acid;1-benzhydrylazetidin-3-amine

C18H22N2O2 — CID 11858466

IUPACacetic acid;1-benzhydrylazetidin-3-amine
SMILESCC(=O)O.NC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C16H18N2.C2H4O2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-2(3)4/h1-10,15-16H,11-12,17H2;1H3,(H,3,4)
InChIKeyFNCDDRDVAFISFI-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.51
Rot. Bonds3

About acetic acid;1-benzhydrylazetidin-3-amine

acetic acid;1-benzhydrylazetidin-3-amine (PubChem CID 11858466) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is acetic acid;1-benzhydrylazetidin-3-amine.

Molecular Properties

Compound Nameacetic acid;1-benzhydrylazetidin-3-amine
PubChem CID11858466
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Nameacetic acid;1-benzhydrylazetidin-3-amine
SMILESCC(=O)O.NC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C16H18N2.C2H4O2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-2(3)4/h1-10,15-16H,11-12,17H2;1H3,(H,3,4)
InChIKeyFNCDDRDVAFISFI-UHFFFAOYSA-N
XLogP2.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-benzhydrylazetidin-3-amine?
The IUPAC name of acetic acid;1-benzhydrylazetidin-3-amine (CID 11858466) is acetic acid;1-benzhydrylazetidin-3-amine.
What is the SMILES notation for acetic acid;1-benzhydrylazetidin-3-amine?
The canonical SMILES for acetic acid;1-benzhydrylazetidin-3-amine is CC(=O)O.NC1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of acetic acid;1-benzhydrylazetidin-3-amine?
The InChIKey is FNCDDRDVAFISFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2.C2H4O2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-2(3)4/h1-10,15-16H,11-12,17H2;1H3,(H,3,4).
What are the key properties of acetic acid;1-benzhydrylazetidin-3-amine?
acetic acid;1-benzhydrylazetidin-3-amine has a molecular weight of 298.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-benzhydrylazetidin-3-amine is sourced from PubChem (CID 11858466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).