2-(2-octylphenyl)propan-2-amine;hydrobromide

C17H30BrN — CID 173314591

IUPAC2-(2-octylphenyl)propan-2-amine;hydrobromide
SMILESBr.CCCCCCCCc1ccccc1C(C)(C)N
InChIInChI=1S/C17H29N.BrH/c1-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17(2,3)18;/h10-11,13-14H,4-9,12,18H2,1-3H3;1H
InChIKeyLIECCURFEDTDHO-UHFFFAOYSA-N
MW328.34 g/mol
LogP5.36
Rot. Bonds8

About 2-(2-octylphenyl)propan-2-amine;hydrobromide

2-(2-octylphenyl)propan-2-amine;hydrobromide (PubChem CID 173314591) has the molecular formula C17H30BrN and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-(2-octylphenyl)propan-2-amine;hydrobromide.

Molecular Properties

Compound Name2-(2-octylphenyl)propan-2-amine;hydrobromide
PubChem CID173314591
Molecular FormulaC17H30BrN
Molecular Weight328.34 g/mol
Exact Mass327.16
IUPAC Name2-(2-octylphenyl)propan-2-amine;hydrobromide
SMILESBr.CCCCCCCCc1ccccc1C(C)(C)N
InChIInChI=1S/C17H29N.BrH/c1-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17(2,3)18;/h10-11,13-14H,4-9,12,18H2,1-3H3;1H
InChIKeyLIECCURFEDTDHO-UHFFFAOYSA-N
XLogP5.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.34
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-octylphenyl)propan-2-amine;hydrobromide?
The IUPAC name of 2-(2-octylphenyl)propan-2-amine;hydrobromide (CID 173314591) is 2-(2-octylphenyl)propan-2-amine;hydrobromide.
What is the SMILES notation for 2-(2-octylphenyl)propan-2-amine;hydrobromide?
The canonical SMILES for 2-(2-octylphenyl)propan-2-amine;hydrobromide is Br.CCCCCCCCc1ccccc1C(C)(C)N.
What is the InChIKey of 2-(2-octylphenyl)propan-2-amine;hydrobromide?
The InChIKey is LIECCURFEDTDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.BrH/c1-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17(2,3)18;/h10-11,13-14H,4-9,12,18H2,1-3H3;1H.
What are the key properties of 2-(2-octylphenyl)propan-2-amine;hydrobromide?
2-(2-octylphenyl)propan-2-amine;hydrobromide has a molecular weight of 328.34 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octylphenyl)propan-2-amine;hydrobromide is sourced from PubChem (CID 173314591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).