N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine

C9H11Cl2NO — CID 123395462

IUPACN-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-6(12-11)7-3-4-9(13-2)8(10)5-7/h3-6,12H,1-2H3
InChIKeyMZZIRMTYOIIOQZ-UHFFFAOYSA-N
MW220.10 g/mol
LogP3.15
Rot. Bonds3

About N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine

N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine (PubChem CID 123395462) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
PubChem CID123395462
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC NameN-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)NCl)cc1Cl
InChIInChI=1S/C9H11Cl2NO/c1-6(12-11)7-3-4-9(13-2)8(10)5-7/h3-6,12H,1-2H3
InChIKeyMZZIRMTYOIIOQZ-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chloro-4-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115623649
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
N-[1-(3-chloro-4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 115865739
1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
CID 10560966
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
2-(3-chloro-4-methoxyphenyl)-3-methylbutanal
CID 82081027
N-[1-(3,4-dichlorophenyl)ethyl]-2-methoxyaniline
CID 43100398
methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
CID 7278759
2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine
CID 116907396

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine?
The IUPAC name of N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine (CID 123395462) is N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine?
The canonical SMILES for N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine is COc1ccc(C(C)NCl)cc1Cl.
What is the InChIKey of N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine?
The InChIKey is MZZIRMTYOIIOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c1-6(12-11)7-3-4-9(13-2)8(10)5-7/h3-6,12H,1-2H3.
What are the key properties of N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine?
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine has a molecular weight of 220.10 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 123395462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).