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

C20H27NO2 — CID 10064188

IUPAC1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
SMILESCOc1cc(CCCc2ccccc2)cc(OC)c1CC(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
InChIKeyBLTUEXQAJVYGCR-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.77
Rot. Bonds8

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

1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine (PubChem CID 10064188) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
PubChem CID10064188
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine
SMILESCOc1cc(CCCc2ccccc2)cc(OC)c1CC(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
InChIKeyBLTUEXQAJVYGCR-UHFFFAOYSA-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 1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
The IUPAC name of 1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine (CID 10064188) is 1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine is COc1cc(CCCc2ccccc2)cc(OC)c1CC(C)N.
What is the InChIKey of 1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
The InChIKey is BLTUEXQAJVYGCR-UHFFFAOYSA-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.
What are the key properties of 1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine?
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 1-[2,6-dimethoxy-4-(3-phenylpropyl)phenyl]propan-2-amine is sourced from PubChem (CID 10064188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).