N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine

C16H17Cl2NO — CID 63428117

IUPACN-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc(Cl)cc2Cl)ccc1OC
InChIInChI=1S/C16H17Cl2NO/c1-3-19-10-12-8-11(4-7-16(12)20-2)14-6-5-13(17)9-15(14)18/h4-9,19H,3,10H2,1-2H3
InChIKeyKXYWZDUAZSAYAV-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.78
Rot. Bonds5

About N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine

N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine (PubChem CID 63428117) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
PubChem CID63428117
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccc(Cl)cc2Cl)ccc1OC
InChIInChI=1S/C16H17Cl2NO/c1-3-19-10-12-8-11(4-7-16(12)20-2)14-6-5-13(17)9-15(14)18/h4-9,19H,3,10H2,1-2H3
InChIKeyKXYWZDUAZSAYAV-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63428118
N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine
CID 54912220
N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine
CID 79601552
N-[[5-(2,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032524
N-[[5-(3,4-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61026053
N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 66278387
N-[[4-(3-chloro-4-methoxyphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441468
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66158083

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine (CID 63428117) is N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine is CCNCc1cc(-c2ccc(Cl)cc2Cl)ccc1OC.
What is the InChIKey of N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine?
The InChIKey is KXYWZDUAZSAYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-3-19-10-12-8-11(4-7-16(12)20-2)14-6-5-13(17)9-15(14)18/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine?
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 63428117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).