(3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine

C18H23NO2 — CID 102109618

IUPAC(3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine
SMILESCOC(OC)c1ccccc1[C@H](CCN)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-20-18(21-2)17-11-7-6-10-16(17)15(12-13-19)14-8-4-3-5-9-14/h3-11,15,18H,12-13,19H2,1-2H3/t15-/m1/s1
InChIKeyFCKGYCPLBRJMLW-OAHLLOKOSA-N
MW285.39 g/mol
LogP3.46
Rot. Bonds7

About (3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine

(3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine (PubChem CID 102109618) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine
PubChem CID102109618
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine
SMILESCOC(OC)c1ccccc1[C@H](CCN)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-20-18(21-2)17-11-7-6-10-16(17)15(12-13-19)14-8-4-3-5-9-14/h3-11,15,18H,12-13,19H2,1-2H3/t15-/m1/s1
InChIKeyFCKGYCPLBRJMLW-OAHLLOKOSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.46
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

(3S)-3-[2-(2,2-dimethoxyethyl)phenyl]-3-phenylpropan-1-amine
CID 102109624
3,3-diphenylpropan-1-amine;hydron;chloride
CID 74764483
3-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-amine
CID 154175040
4-[2-(dimethoxymethyl)phenyl]but-3-en-1-amine
CID 170487444
3-[methoxy(phenyl)methoxy]propane-1,2-diamine
CID 70238374
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
O-(3-amino-1-phenylpropyl)hydroxylamine
CID 58171394
2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 82501011
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 729616
2-phenylbutane-1,4-diamine
CID 16770348
3-naphthalen-2-yl-3-phenylpropan-1-amine
CID 67204664

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine?
The IUPAC name of (3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine (CID 102109618) is (3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine.
What is the SMILES notation for (3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine?
The canonical SMILES for (3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine is COC(OC)c1ccccc1[C@H](CCN)c1ccccc1.
What is the InChIKey of (3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine?
The InChIKey is FCKGYCPLBRJMLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO2/c1-20-18(21-2)17-11-7-6-10-16(17)15(12-13-19)14-8-4-3-5-9-14/h3-11,15,18H,12-13,19H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine?
(3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(dimethoxymethyl)phenyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 102109618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).