(1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine

C21H28N2O2 — CID 59953196

IUPAC(1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine
SMILESCC1(C)OC([C@H](N)Cc2ccccc2)C([C@H](N)Cc2ccccc2)O1
InChIInChI=1S/C21H28N2O2/c1-21(2)24-19(17(22)13-15-9-5-3-6-10-15)20(25-21)18(23)14-16-11-7-4-8-12-16/h3-12,17-20H,13-14,22-23H2,1-2H3/t17-,18-,19?,20?/m1/s1
InChIKeyDWYGCNIREGQVDY-UVHRUJRTSA-N
MW340.47 g/mol
LogP2.65
Rot. Bonds6

About (1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine

(1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine (PubChem CID 59953196) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine
PubChem CID59953196
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine
SMILESCC1(C)OC([C@H](N)Cc2ccccc2)C([C@H](N)Cc2ccccc2)O1
InChIInChI=1S/C21H28N2O2/c1-21(2)24-19(17(22)13-15-9-5-3-6-10-15)20(25-21)18(23)14-16-11-7-4-8-12-16/h3-12,17-20H,13-14,22-23H2,1-2H3/t17-,18-,19?,20?/m1/s1
InChIKeyDWYGCNIREGQVDY-UVHRUJRTSA-N
XLogP2.65
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine?
The IUPAC name of (1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine (CID 59953196) is (1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine.
What is the SMILES notation for (1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine?
The canonical SMILES for (1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine is CC1(C)OC([C@H](N)Cc2ccccc2)C([C@H](N)Cc2ccccc2)O1.
What is the InChIKey of (1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine?
The InChIKey is DWYGCNIREGQVDY-UVHRUJRTSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-21(2)24-19(17(22)13-15-9-5-3-6-10-15)20(25-21)18(23)14-16-11-7-4-8-12-16/h3-12,17-20H,13-14,22-23H2,1-2H3/t17-,18-,19?,20?/m1/s1.
What are the key properties of (1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine?
(1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine has a molecular weight of 340.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine is sourced from PubChem (CID 59953196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).