2-(4-propoxyphenyl)ethanamine;hydrochloride

C11H18ClNO — CID 3043938

IUPAC2-(4-propoxyphenyl)ethanamine;hydrochloride
SMILESCCCOc1ccc(CCN)cc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-2-9-13-11-5-3-10(4-6-11)7-8-12;/h3-6H,2,7-9,12H2,1H3;1H
InChIKeyFHXNLLDQTJVGCS-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.40
Rot. Bonds5

About 2-(4-propoxyphenyl)ethanamine;hydrochloride

2-(4-propoxyphenyl)ethanamine;hydrochloride (PubChem CID 3043938) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-propoxyphenyl)ethanamine;hydrochloride
PubChem CID3043938
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name2-(4-propoxyphenyl)ethanamine;hydrochloride
SMILESCCCOc1ccc(CCN)cc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-2-9-13-11-5-3-10(4-6-11)7-8-12;/h3-6H,2,7-9,12H2,1H3;1H
InChIKeyFHXNLLDQTJVGCS-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
CID 43253445
2-(4-methoxyphenyl)ethanamine;4-propoxybenzaldehyde
CID 23291631
2-(4-heptylphenoxy)ethanamine;hydrochloride
CID 164576424
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
2-methyl-4-(4-propoxyphenyl)butan-2-amine
CID 98014307
3-(4-hexadecoxyphenyl)propan-1-amine
CID 170867453
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(4-propoxyphenyl)ethanamine;hydrochloride (CID 3043938) is 2-(4-propoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-propoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-propoxyphenyl)ethanamine;hydrochloride is CCCOc1ccc(CCN)cc1.Cl.
What is the InChIKey of 2-(4-propoxyphenyl)ethanamine;hydrochloride?
The InChIKey is FHXNLLDQTJVGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-2-9-13-11-5-3-10(4-6-11)7-8-12;/h3-6H,2,7-9,12H2,1H3;1H.
What are the key properties of 2-(4-propoxyphenyl)ethanamine;hydrochloride?
2-(4-propoxyphenyl)ethanamine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 3043938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).