(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine

C13H21NO2 — CID 93314160

IUPAC(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
SMILESCC[C@@H](NCC(OC)OC)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-4-12(11-8-6-5-7-9-11)14-10-13(15-2)16-3/h5-9,12-14H,4,10H2,1-3H3/t12-/m1/s1
InChIKeyPQSZTUYTKQNOMF-GFCCVEGCSA-N
MW223.32 g/mol
LogP2.35
Rot. Bonds7

About (1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine

(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine (PubChem CID 93314160) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
PubChem CID93314160
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
SMILESCC[C@@H](NCC(OC)OC)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-4-12(11-8-6-5-7-9-11)14-10-13(15-2)16-3/h5-9,12-14H,4,10H2,1-3H3/t12-/m1/s1
InChIKeyPQSZTUYTKQNOMF-GFCCVEGCSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2,2-dimethoxyethylamino)propyl]phenol
CID 54921747
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine
CID 43105129
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730
methyl 2-acetamido-3-(1-phenylpropylamino)propanoate
CID 103248077
N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine
CID 60816952
1-[(2-methylpropan-2-yl)oxy]-3-(1-phenylpropylamino)propan-2-ol
CID 62306251
4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
CID 43499212
4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
CID 104624237
1-(4-chlorophenyl)-2-(1-phenylpropylamino)ethanol
CID 62304367
methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate
CID 79623966
(3S)-1-[2-(2,2-dimethoxyethylamino)-2-phenylethyl]pyrrolidin-3-ol
CID 70341809

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine?
The IUPAC name of (1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine (CID 93314160) is (1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine.
What is the SMILES notation for (1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine?
The canonical SMILES for (1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine is CC[C@@H](NCC(OC)OC)c1ccccc1.
What is the InChIKey of (1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine?
The InChIKey is PQSZTUYTKQNOMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-12(11-8-6-5-7-9-11)14-10-13(15-2)16-3/h5-9,12-14H,4,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine?
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 93314160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).