N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride

C13H22ClNO2 — CID 117067322

IUPACN-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
SMILESCOc1ccccc1OCCNCC(C)C.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-11(2)10-14-8-9-16-13-7-5-4-6-12(13)15-3;/h4-7,11,14H,8-10H2,1-3H3;1H
InChIKeyMQSZKSUXLZZYHA-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride

N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride (PubChem CID 117067322) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
PubChem CID117067322
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
SMILESCOc1ccccc1OCCNCC(C)C.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-11(2)10-14-8-9-16-13-7-5-4-6-12(13)15-3;/h4-7,11,14H,8-10H2,1-3H3;1H
InChIKeyMQSZKSUXLZZYHA-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
CID 107152431
2-methyl-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine
CID 62449849
methyl 2-iodo-3-[2-(2-methoxyphenoxy)ethylamino]propanoate
CID 103492017
2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propanamide
CID 106174794
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
CID 125487777
2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435231
2-(2-methoxyphenoxy)-N-(2-methylpropoxy)ethanamine
CID 82715409
5-[2-(2-methoxyphenoxy)ethylamino]pentan-2-ol
CID 114147540
4-(2,6-dimethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62449812
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride (CID 117067322) is N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride is COc1ccccc1OCCNCC(C)C.Cl.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride?
The InChIKey is MQSZKSUXLZZYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/c1-11(2)10-14-8-9-16-13-7-5-4-6-12(13)15-3;/h4-7,11,14H,8-10H2,1-3H3;1H.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride?
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 117067322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).