N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine

C11H15Cl2NO — CID 115215017

IUPACN-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Cl)cc1CCNCCCl
InChIInChI=1S/C11H15Cl2NO/c1-15-11-3-2-10(13)8-9(11)4-6-14-7-5-12/h2-3,8,14H,4-7H2,1H3
InChIKeyDXMLAOYVDZLMBU-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.72
Rot. Bonds6

About N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine

N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine (PubChem CID 115215017) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
PubChem CID115215017
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC NameN-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(Cl)cc1CCNCCCl
InChIInChI=1S/C11H15Cl2NO/c1-15-11-3-2-10(13)8-9(11)4-6-14-7-5-12/h2-3,8,14H,4-7H2,1H3
InChIKeyDXMLAOYVDZLMBU-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-chloro-2-methoxyphenyl)ethylamino]ethanethiol
CID 115224188
1-N-[2-(5-chloro-2-methoxyphenyl)ethyl]butane-1,3-diamine
CID 115199496
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
3-[2-(5-chloro-2-methoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 139017041
6-(5-chloro-2-methoxyphenyl)-N-ethylhexan-1-amine
CID 104544671
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112519015
1-[2-(5-chloro-2-methoxyphenyl)ethyl]-2-pyridin-4-ylhydrazine
CID 86201784
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315529
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
2-chloro-N-[(5-ethyl-2-methoxyphenyl)methyl]ethanamine
CID 115214822

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine?
The IUPAC name of N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine (CID 115215017) is N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine is COc1ccc(Cl)cc1CCNCCCl.
What is the InChIKey of N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine?
The InChIKey is DXMLAOYVDZLMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-15-11-3-2-10(13)8-9(11)4-6-14-7-5-12/h2-3,8,14H,4-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine?
N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine has a molecular weight of 248.15 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 115215017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).