2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine

C14H21Cl2N — CID 65318481

IUPAC2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2N/c1-4-14(5-2,10-17-3)9-11-8-12(15)6-7-13(11)16/h6-8,17H,4-5,9-10H2,1-3H3
InChIKeyDUMRGBLWSFJMSH-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.56
Rot. Bonds6

About 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine

2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine (PubChem CID 65318481) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine
PubChem CID65318481
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H21Cl2N/c1-4-14(5-2,10-17-3)9-11-8-12(15)6-7-13(11)16/h6-8,17H,4-5,9-10H2,1-3H3
InChIKeyDUMRGBLWSFJMSH-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 65318529
2-[(5-chloro-2-fluorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 103049706
2-[(2,4-dichlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63507726
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 106869525
2-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 63509806
2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63507590
1-[2,2-bis(chloromethyl)butyl]-2,4-dichlorobenzene
CID 79447331
2-[(2-chlorophenyl)methyl]-2-ethyl-N-methylhexan-1-amine
CID 55195094
1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039856
2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
CID 66050273
2-[(2,5-dichlorophenyl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640703
2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene
CID 66048184

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine (CID 65318481) is 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine is CCC(CC)(CNC)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine?
The InChIKey is DUMRGBLWSFJMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-4-14(5-2,10-17-3)9-11-8-12(15)6-7-13(11)16/h6-8,17H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine?
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 65318481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).