N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride

C16H20ClNO2 — CID 16735705

IUPACN-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride
SMILESCNCCCOc1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-17-12-5-13-18-14-8-10-16(11-9-14)19-15-6-3-2-4-7-15;/h2-4,6-11,17H,5,12-13H2,1H3;1H
InChIKeyUXMOODBIEZMGHC-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.89
Rot. Bonds7

About N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride

N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride (PubChem CID 16735705) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride
PubChem CID16735705
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride
SMILESCNCCCOc1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-17-12-5-13-18-14-8-10-16(11-9-14)19-15-6-3-2-4-7-15;/h2-4,6-11,17H,5,12-13H2,1H3;1H
InChIKeyUXMOODBIEZMGHC-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.89
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride?
The IUPAC name of N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride (CID 16735705) is N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride is CNCCCOc1ccc(Oc2ccccc2)cc1.Cl.
What is the InChIKey of N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride?
The InChIKey is UXMOODBIEZMGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c1-17-12-5-13-18-14-8-10-16(11-9-14)19-15-6-3-2-4-7-15;/h2-4,6-11,17H,5,12-13H2,1H3;1H.
What are the key properties of N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride?
N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride has a molecular weight of 293.79 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 16735705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).