1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride

C17H22ClNO — CID 164629123

IUPAC1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride
SMILESCCCc1ccccc1OCC(N)c1ccccc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-2-8-15-11-6-7-12-17(15)19-13-16(18)14-9-4-3-5-10-14;/h3-7,9-12,16H,2,8,13,18H2,1H3;1H
InChIKeyWTZOTUCFOBSHNV-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.14
Rot. Bonds6

About 1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride

1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride (PubChem CID 164629123) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride
PubChem CID164629123
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride
SMILESCCCc1ccccc1OCC(N)c1ccccc1.Cl
InChIInChI=1S/C17H21NO.ClH/c1-2-8-15-11-6-7-12-17(15)19-13-16(18)14-9-4-3-5-10-14;/h3-7,9-12,16H,2,8,13,18H2,1H3;1H
InChIKeyWTZOTUCFOBSHNV-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride?
The IUPAC name of 1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride (CID 164629123) is 1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for 1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride?
The canonical SMILES for 1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride is CCCc1ccccc1OCC(N)c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride?
The InChIKey is WTZOTUCFOBSHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c1-2-8-15-11-6-7-12-17(15)19-13-16(18)14-9-4-3-5-10-14;/h3-7,9-12,16H,2,8,13,18H2,1H3;1H.
What are the key properties of 1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride?
1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-propylphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 164629123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).