3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride

C18H24ClNO2 — CID 18793133

IUPAC3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
SMILESCl.c1ccc(OCCCNCCCOc2ccccc2)cc1
InChIInChI=1S/C18H23NO2.ClH/c1-3-9-17(10-4-1)20-15-7-13-19-14-8-16-21-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16H2;1H
InChIKeyHRYQFZNZIRQNNB-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.94
Rot. Bonds10

About 3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride

3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride (PubChem CID 18793133) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
PubChem CID18793133
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
SMILESCl.c1ccc(OCCCNCCCOc2ccccc2)cc1
InChIInChI=1S/C18H23NO2.ClH/c1-3-9-17(10-4-1)20-15-7-13-19-14-8-16-21-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16H2;1H
InChIKeyHRYQFZNZIRQNNB-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-phenoxyethyl)butan-1-amine
CID 106844867
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
4-(3-phenoxypropylamino)butanenitrile
CID 60696999
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
N-[2-(2-chloroethoxy)ethyl]-3-phenoxypropan-1-amine
CID 65023904
5-(3-phenoxypropylamino)pentanenitrile
CID 60697093
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
3-(2-methoxyethoxy)-N-(3-phenoxypropyl)propan-1-amine
CID 103605643
N-(2-fluoroethyl)-2-phenoxyethanamine
CID 80694190
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
N-(2,2-difluoroethyl)-3-phenoxypropan-1-amine
CID 62380605

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride (CID 18793133) is 3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride is Cl.c1ccc(OCCCNCCCOc2ccccc2)cc1.
What is the InChIKey of 3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride?
The InChIKey is HRYQFZNZIRQNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.ClH/c1-3-9-17(10-4-1)20-15-7-13-19-14-8-16-21-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16H2;1H.
What are the key properties of 3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride?
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 18793133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).