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

C17H22ClNO2 — CID 16736714

IUPACN,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride
SMILESCN(C)CCCOc1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-18(2)13-6-14-19-15-9-11-17(12-10-15)20-16-7-4-3-5-8-16;/h3-5,7-12H,6,13-14H2,1-2H3;1H
InChIKeyAVVMRCDRNBRCJJ-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.23
Rot. Bonds7

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

N,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride (PubChem CID 16736714) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride
PubChem CID16736714
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC NameN,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride
SMILESCN(C)CCCOc1ccc(Oc2ccccc2)cc1.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-18(2)13-6-14-19-15-9-11-17(12-10-15)20-16-7-4-3-5-8-16;/h3-5,7-12H,6,13-14H2,1-2H3;1H
InChIKeyAVVMRCDRNBRCJJ-UHFFFAOYSA-N
XLogP4.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.23
H-Bond Donors ≤ 50
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,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride (CID 16736714) is N,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride is CN(C)CCCOc1ccc(Oc2ccccc2)cc1.Cl.
What is the InChIKey of N,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride?
The InChIKey is AVVMRCDRNBRCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.ClH/c1-18(2)13-6-14-19-15-9-11-17(12-10-15)20-16-7-4-3-5-8-16;/h3-5,7-12H,6,13-14H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride?
N,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-phenoxyphenoxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 16736714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).