[3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride

C20H28Cl2N2O — CID 12805087

IUPAC[3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride
SMILESCC(CN1CCOCC1)c1cccc(C(N)c2ccccc2)c1.Cl.Cl
InChIInChI=1S/C20H26N2O.2ClH/c1-16(15-22-10-12-23-13-11-22)18-8-5-9-19(14-18)20(21)17-6-3-2-4-7-17;;/h2-9,14,16,20H,10-13,15,21H2,1H3;2*1H
InChIKeyMRJAKYXRBXTEKE-UHFFFAOYSA-N
MW383.36 g/mol
LogP4.01
Rot. Bonds5

About [3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride

[3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride (PubChem CID 12805087) has the molecular formula C20H28Cl2N2O and a molecular weight of 383.36 g/mol. Its IUPAC name is [3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride.

Molecular Properties

Compound Name[3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride
PubChem CID12805087
Molecular FormulaC20H28Cl2N2O
Molecular Weight383.36 g/mol
Exact Mass382.16
IUPAC Name[3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride
SMILESCC(CN1CCOCC1)c1cccc(C(N)c2ccccc2)c1.Cl.Cl
InChIInChI=1S/C20H26N2O.2ClH/c1-16(15-22-10-12-23-13-11-22)18-8-5-9-19(14-18)20(21)17-6-3-2-4-7-17;;/h2-9,14,16,20H,10-13,15,21H2,1H3;2*1H
InChIKeyMRJAKYXRBXTEKE-UHFFFAOYSA-N
XLogP4.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride?
The IUPAC name of [3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride (CID 12805087) is [3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride.
What is the SMILES notation for [3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride?
The canonical SMILES for [3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride is CC(CN1CCOCC1)c1cccc(C(N)c2ccccc2)c1.Cl.Cl.
What is the InChIKey of [3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride?
The InChIKey is MRJAKYXRBXTEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.2ClH/c1-16(15-22-10-12-23-13-11-22)18-8-5-9-19(14-18)20(21)17-6-3-2-4-7-17;;/h2-9,14,16,20H,10-13,15,21H2,1H3;2*1H.
What are the key properties of [3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride?
[3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride has a molecular weight of 383.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-morpholin-4-ylpropan-2-yl)phenyl]-phenylmethanamine;dihydrochloride is sourced from PubChem (CID 12805087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).