N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride

C11H17Cl2NO2 — CID 132843684

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCc1ccc(OC)c(Cl)c1.Cl
InChIInChI=1S/C11H16ClNO2.ClH/c1-14-6-5-13-8-9-3-4-11(15-2)10(12)7-9;/h3-4,7,13H,5-6,8H2,1-2H3;1H
InChIKeyJZKCKNSLQZHBRB-UHFFFAOYSA-N
MW266.17 g/mol
LogP2.51
Rot. Bonds6

About N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride

N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride (PubChem CID 132843684) has the molecular formula C11H17Cl2NO2 and a molecular weight of 266.17 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
PubChem CID132843684
Molecular FormulaC11H17Cl2NO2
Molecular Weight266.17 g/mol
Exact Mass265.06
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
SMILESCOCCNCc1ccc(OC)c(Cl)c1.Cl
InChIInChI=1S/C11H16ClNO2.ClH/c1-14-6-5-13-8-9-3-4-11(15-2)10(12)7-9;/h3-4,7,13H,5-6,8H2,1-2H3;1H
InChIKeyJZKCKNSLQZHBRB-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 52.51
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-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65365160
N-[(8-chloro-5-methoxynaphthalen-2-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 90673364
N-[(3-chloro-4-methoxyphenyl)methyl]-2-phenoxyethanamine
CID 65021766
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625168
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 81294847
[(3-chloro-4-methoxyphenyl)methylamino]methanethiol
CID 115227883
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106236132
2-[2-[2-chloro-4-[(2-methoxyethylamino)methyl]phenoxy]ethoxy]ethanol
CID 63057204
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
4-[(3-chloro-4-methoxyphenyl)methylamino]butan-2-ol
CID 65021347
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 65021527

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride (CID 132843684) is N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride is COCCNCc1ccc(OC)c(Cl)c1.Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
The InChIKey is JZKCKNSLQZHBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2.ClH/c1-14-6-5-13-8-9-3-4-11(15-2)10(12)7-9;/h3-4,7,13H,5-6,8H2,1-2H3;1H.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride has a molecular weight of 266.17 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 132843684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).