1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine

C17H29NO2 — CID 67452414

IUPAC1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine
SMILESCCC(OC)c1ccc(C(CC)OC)c(CC(C)N)c1
InChIInChI=1S/C17H29NO2/c1-6-16(19-4)13-8-9-15(17(7-2)20-5)14(11-13)10-12(3)18/h8-9,11-12,16-17H,6-7,10,18H2,1-5H3
InChIKeyQSKZDMBGGOAIKJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.77
Rot. Bonds8

About 1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine

1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine (PubChem CID 67452414) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine
PubChem CID67452414
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine
SMILESCCC(OC)c1ccc(C(CC)OC)c(CC(C)N)c1
InChIInChI=1S/C17H29NO2/c1-6-16(19-4)13-8-9-15(17(7-2)20-5)14(11-13)10-12(3)18/h8-9,11-12,16-17H,6-7,10,18H2,1-5H3
InChIKeyQSKZDMBGGOAIKJ-UHFFFAOYSA-N
XLogP3.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
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-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine?
The IUPAC name of 1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine (CID 67452414) is 1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine is CCC(OC)c1ccc(C(CC)OC)c(CC(C)N)c1.
What is the InChIKey of 1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine?
The InChIKey is QSKZDMBGGOAIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-16(19-4)13-8-9-15(17(7-2)20-5)14(11-13)10-12(3)18/h8-9,11-12,16-17H,6-7,10,18H2,1-5H3.
What are the key properties of 1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine?
1-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine has a molecular weight of 279.42 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-[2,5-bis(1-methoxypropyl)phenyl]propan-2-amine is sourced from PubChem (CID 67452414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).