5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine

C15H23Cl2NO — CID 65303796

IUPAC5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
SMILESCOCCNCCC(C)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-12(7-8-18-9-10-19-2)3-4-13-5-6-14(16)11-15(13)17/h5-6,11-12,18H,3-4,7-10H2,1-2H3
InChIKeyBLSMPJNEXGASSG-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.19
Rot. Bonds9

About 5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine

5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine (PubChem CID 65303796) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
PubChem CID65303796
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
SMILESCOCCNCCC(C)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H23Cl2NO/c1-12(7-8-18-9-10-19-2)3-4-13-5-6-14(16)11-15(13)17/h5-6,11-12,18H,3-4,7-10H2,1-2H3
InChIKeyBLSMPJNEXGASSG-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 65304123
5-(3,4-diethylphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 115483366
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propan-2-amine
CID 82262530
N-(2-methoxyethyl)-3-methyl-5-naphthalen-1-ylpentan-1-amine
CID 65304143
5-(2,5-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65303779
5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 104544669
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302872
N-[(4-chloro-2-ethylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 114863829
4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64666080
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide
CID 55080863
N'-[(2-bromo-4-chlorophenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 107987659

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine (CID 65303796) is 5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine is COCCNCCC(C)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine?
The InChIKey is BLSMPJNEXGASSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-12(7-8-18-9-10-19-2)3-4-13-5-6-14(16)11-15(13)17/h5-6,11-12,18H,3-4,7-10H2,1-2H3.
What are the key properties of 5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine?
5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine has a molecular weight of 304.26 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine is sourced from PubChem (CID 65303796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).