2-(2-butoxyphenyl)ethanamine;hydrochloride

C12H20ClNO — CID 3045706

IUPAC2-(2-butoxyphenyl)ethanamine;hydrochloride
SMILESCCCCOc1ccccc1CCN.Cl
InChIInChI=1S/C12H19NO.ClH/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13;/h4-7H,2-3,8-10,13H2,1H3;1H
InChIKeySUVGIRXVKNEAQE-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.79
Rot. Bonds6

About 2-(2-butoxyphenyl)ethanamine;hydrochloride

2-(2-butoxyphenyl)ethanamine;hydrochloride (PubChem CID 3045706) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-(2-butoxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-butoxyphenyl)ethanamine;hydrochloride
PubChem CID3045706
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-(2-butoxyphenyl)ethanamine;hydrochloride
SMILESCCCCOc1ccccc1CCN.Cl
InChIInChI=1S/C12H19NO.ClH/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13;/h4-7H,2-3,8-10,13H2,1H3;1H
InChIKeySUVGIRXVKNEAQE-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.79
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-[2-(2-butoxyethoxy)phenyl]ethanamine
CID 54956247
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
1-butyl-2-nonoxybenzene
CID 118255282
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
2-[2-(4-butylphenoxy)phenyl]ethanamine
CID 115493511
2-(2-pentoxyphenyl)ethanol
CID 91657515
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyphenyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-butoxyphenyl)ethanamine;hydrochloride (CID 3045706) is 2-(2-butoxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-butoxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-butoxyphenyl)ethanamine;hydrochloride is CCCCOc1ccccc1CCN.Cl.
What is the InChIKey of 2-(2-butoxyphenyl)ethanamine;hydrochloride?
The InChIKey is SUVGIRXVKNEAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13;/h4-7H,2-3,8-10,13H2,1H3;1H.
What are the key properties of 2-(2-butoxyphenyl)ethanamine;hydrochloride?
2-(2-butoxyphenyl)ethanamine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 3045706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).