1-(3-chloro-4-methoxyphenyl)ethylazanium chloride

C9H13Cl2NO — CID 10560966

IUPAC1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
SMILESCOc1ccc(C(C)[NH3+])cc1Cl.[Cl-]
InChIInChI=1S/C9H12ClNO.ClH/c1-6(11)7-3-4-9(12-2)8(10)5-7;/h3-6H,11H2,1-2H3;1H
InChIKeyIZERSUMZSHWVCM-UHFFFAOYSA-N
MW222.12 g/mol
LogP-1.34
Rot. Bonds2

About 1-(3-chloro-4-methoxyphenyl)ethylazanium chloride

1-(3-chloro-4-methoxyphenyl)ethylazanium chloride (PubChem CID 10560966) has the molecular formula C9H13Cl2NO and a molecular weight of 222.12 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)ethylazanium chloride.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
PubChem CID10560966
Molecular FormulaC9H13Cl2NO
Molecular Weight222.12 g/mol
Exact Mass221.04
IUPAC Name1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
SMILESCOc1ccc(C(C)[NH3+])cc1Cl.[Cl-]
InChIInChI=1S/C9H12ClNO.ClH/c1-6(11)7-3-4-9(12-2)8(10)5-7;/h3-6H,11H2,1-2H3;1H
InChIKeyIZERSUMZSHWVCM-UHFFFAOYSA-N
XLogP-1.34
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
2-(3-chloro-4-methoxyphenyl)-3-methylbutanal
CID 82081027
3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline
CID 43758094
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene
CID 103514473
1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 55198869
2-chloro-4-[chloro-(4-methylphenyl)methyl]-1-methoxybenzene
CID 55198679
N-[1-(3-chloro-4-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115623649
2-chloro-4-hex-4-yn-2-yl-1-methoxybenzene
CID 83928523

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)ethylazanium chloride?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)ethylazanium chloride (CID 10560966) is 1-(3-chloro-4-methoxyphenyl)ethylazanium chloride.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)ethylazanium chloride?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)ethylazanium chloride is COc1ccc(C(C)[NH3+])cc1Cl.[Cl-].
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)ethylazanium chloride?
The InChIKey is IZERSUMZSHWVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO.ClH/c1-6(11)7-3-4-9(12-2)8(10)5-7;/h3-6H,11H2,1-2H3;1H.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)ethylazanium chloride?
1-(3-chloro-4-methoxyphenyl)ethylazanium chloride has a molecular weight of 222.12 g/mol, XLogP of -1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)ethylazanium chloride is sourced from PubChem (CID 10560966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).