(2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine

C20H27NO2 — CID 101064795

IUPAC(2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
SMILESCOc1cc(CCCc2ccccc2)cc(OC)c1C[C@@H](C)N
InChIInChI=1S/C20H27NO2/c1-15(21)12-18-19(22-2)13-17(14-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3/t15-/m1/s1
InChIKeyBLTUEXQAJVYGCR-OAHLLOKOSA-N
MW313.44 g/mol
LogP3.77
Rot. Bonds8

About (2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine

(2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine (PubChem CID 101064795) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
PubChem CID101064795
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
SMILESCOc1cc(CCCc2ccccc2)cc(OC)c1C[C@@H](C)N
InChIInChI=1S/C20H27NO2/c1-15(21)12-18-19(22-2)13-17(14-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3/t15-/m1/s1
InChIKeyBLTUEXQAJVYGCR-OAHLLOKOSA-N
XLogP3.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
The IUPAC name of (2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine (CID 101064795) is (2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine.
What is the SMILES notation for (2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
The canonical SMILES for (2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine is COc1cc(CCCc2ccccc2)cc(OC)c1C[C@@H](C)N.
What is the InChIKey of (2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
The InChIKey is BLTUEXQAJVYGCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27NO2/c1-15(21)12-18-19(22-2)13-17(14-20(18)23-3)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-15H,7,10-12,21H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
(2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine has a molecular weight of 313.44 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine is sourced from PubChem (CID 101064795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).