2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine

C16H25Cl2N — CID 63507726

IUPAC2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2N/c1-4-6-9-16(5-2,12-19-3)11-13-7-8-14(17)10-15(13)18/h7-8,10,19H,4-6,9,11-12H2,1-3H3
InChIKeyRNDQJPUEEFOULH-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.34
Rot. Bonds8

About 2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine

2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine (PubChem CID 63507726) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
PubChem CID63507726
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2N/c1-4-6-9-16(5-2,12-19-3)11-13-7-8-14(17)10-15(13)18/h7-8,10,19H,4-6,9,11-12H2,1-3H3
InChIKeyRNDQJPUEEFOULH-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 103049706
2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 55195094
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63509806
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 65318481
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 106869525
1-[2,2-bis(chloromethyl)butyl]-2,4-dichlorobenzene
CID 79447331
2,4-dichloro-1-(2,2-dimethylheptyl)benzene
CID 134535823
2-ethyl-2-[(4-iodophenyl)methyl]-N-methylhexan-1-amine
CID 65489923
2-[(2-chloro-5-fluorophenyl)methyl]-N,2-diethylhexan-1-amine
CID 102619893
2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
CID 62723225
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 65318529
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethylhexan-1-ol
CID 66059544

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine (CID 63507726) is 2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine is CCCCC(CC)(CNC)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
The InChIKey is RNDQJPUEEFOULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-4-6-9-16(5-2,12-19-3)11-13-7-8-14(17)10-15(13)18/h7-8,10,19H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine?
2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine has a molecular weight of 302.29 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine is sourced from PubChem (CID 63507726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).