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

C21H28N2O2 — CID 10882368

IUPAC(1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine
SMILESCC1(C)O[C@@H]([C@H](N)Cc2ccccc2)[C@H]([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-ZRNYENFQSA-N
MW340.47 g/mol
LogP2.65
Rot. Bonds6

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

(1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine (PubChem CID 10882368) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine
PubChem CID10882368
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine
SMILESCC1(C)O[C@@H]([C@H](N)Cc2ccccc2)[C@H]([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-ZRNYENFQSA-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

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

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Launch Full Analysis

Related Compounds

(1S)-1-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]ethanamine
CID 44275980
1,4-Dioxaspiro(4.5)decane, 8-methyl-8-phenyl-2-(2-piperidyl)-, hydrochloride, beta-
CID 19319
2-(2,2-Dibenzyl-1,3-dioxolan-4-yl)piperidine--hydrogen chloride (1/1)
CID 19321
(1S)-1-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]butan-1-amine
CID 44275979
1,3-Dioxolane, 2-diphenylmethyl-2-methyl-4-(2-piperidyl)-, hydrochloride, beta-
CID 19325
4-Methylenedioxypropylamphetamine
CID 155882909
N-[(1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-2,2,2-trifluoroacetamide
CID 12067247
N-[(1R)-1-[(4S,5S)-5-[(1R)-1-(butylamino)-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-2,2,2-trifluoroacetamide
CID 12067249
2-[4-[(4-Fluorophenyl)methyl]cyclohexyl]oxolane-3,4-diamine
CID 21916643
(2R,4S,5R)-3,3-difluoro-4-(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine
CID 59032202
(2R,4S)-3,3-difluoro-4-(2-methoxyethoxymethoxy)-1,6-diphenylhexane-2,5-diamine
CID 59904109
N-[(1R)-1-[5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethyl]-2,2,2-trifluoroacetamide
CID 59953195

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine?
The IUPAC name of (1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine (CID 10882368) is (1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine.
What is the SMILES notation for (1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine?
The canonical SMILES for (1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine is CC1(C)O[C@@H]([C@H](N)Cc2ccccc2)[C@H]([C@H](N)Cc2ccccc2)O1.
What is the InChIKey of (1R)-1-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine?
The InChIKey is DWYGCNIREGQVDY-ZRNYENFQSA-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-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine?
(1R)-1-[(4S,5S)-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-[(4S,5S)-5-[(1R)-1-amino-2-phenylethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine is sourced from PubChem (CID 10882368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).