(3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine

C19H25NO2 — CID 102109624

IUPAC(3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine
SMILESCOC(Cc1ccccc1[C@@H](CCN)c1ccccc1)OC
InChIInChI=1S/C19H25NO2/c1-21-19(22-2)14-16-10-6-7-11-17(16)18(12-13-20)15-8-4-3-5-9-15/h3-11,18-19H,12-14,20H2,1-2H3/t18-/m0/s1
InChIKeyUXXDISMDBYLFRG-SFHVURJKSA-N
MW299.41 g/mol
LogP3.33
Rot. Bonds8

About (3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine

(3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine (PubChem CID 102109624) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine
PubChem CID102109624
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine
SMILESCOC(Cc1ccccc1[C@@H](CCN)c1ccccc1)OC
InChIInChI=1S/C19H25NO2/c1-21-19(22-2)14-16-10-6-7-11-17(16)18(12-13-20)15-8-4-3-5-9-15/h3-11,18-19H,12-14,20H2,1-2H3/t18-/m0/s1
InChIKeyUXXDISMDBYLFRG-SFHVURJKSA-N
XLogP3.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.33
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

(3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine
CID 102109618
1-(2,2-dimethoxyethyl)-2-(2-nitro-1-phenylethyl)benzene
CID 10064288
3,3-diphenylpropan-1-amine;hydron;chloride
CID 74764483
1-(2,2-dimethoxyethyl)-2-phenylbenzene
CID 174663950
1-bromo-2-(2,2-dimethoxyethyl)benzene
CID 11032130
3-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-amine
CID 154175040
1,2-bis(2-methoxy-2-phenylethyl)benzene
CID 90884874
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
[2-(1-phenylpentyl)phenyl]methanol
CID 10587076
1-[2-(1-methoxyethyl)phenyl]propan-2-amine
CID 117111257
1-(2,2-dimethoxyethyl)-2-[2-(2,2-dimethoxyethyl)phenyl]sulfonylbenzene
CID 139670651
2-(2-methoxy-2-phenylethyl)aniline
CID 10082459

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine?
The IUPAC name of (3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine (CID 102109624) is (3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine.
What is the SMILES notation for (3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine?
The canonical SMILES for (3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine is COC(Cc1ccccc1[C@@H](CCN)c1ccccc1)OC.
What is the InChIKey of (3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine?
The InChIKey is UXXDISMDBYLFRG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25NO2/c1-21-19(22-2)14-16-10-6-7-11-17(16)18(12-13-20)15-8-4-3-5-9-15/h3-11,18-19H,12-14,20H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine?
(3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 102109624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).