2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride

C17H22ClNO — CID 11680862

IUPAC2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO.ClH/c18-13-12-16-8-10-17(11-9-16)19-14-4-7-15-5-2-1-3-6-15;/h1-3,5-6,8-11H,4,7,12-14,18H2;1H
InChIKeySTZQPGVJAAWBQW-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.62
Rot. Bonds7

About 2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride

2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride (PubChem CID 11680862) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
PubChem CID11680862
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO.ClH/c18-13-12-16-8-10-17(11-9-16)19-14-4-7-15-5-2-1-3-6-15;/h1-3,5-6,8-11H,4,7,12-14,18H2;1H
InChIKeySTZQPGVJAAWBQW-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine
CID 43254415
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
4-[4-(3-phenylpropoxy)phenyl]butan-2-amine
CID 43094230
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
3-[4-(3-fluoropropoxy)phenyl]propan-1-amine
CID 53434413
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride (CID 11680862) is 2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride is Cl.NCCc1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of 2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride?
The InChIKey is STZQPGVJAAWBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/c18-13-12-16-8-10-17(11-9-16)19-14-4-7-15-5-2-1-3-6-15;/h1-3,5-6,8-11H,4,7,12-14,18H2;1H.
What are the key properties of 2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride?
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 11680862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).