2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine

C14H21Cl2N — CID 83159201

IUPAC2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine
SMILESCNCC(C)(Cc1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C14H21Cl2N/c1-10(2)14(3,9-17-4)8-11-12(15)6-5-7-13(11)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyYRAJLXZPYFCKIC-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.42
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine

2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine (PubChem CID 83159201) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine
PubChem CID83159201
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine
SMILESCNCC(C)(Cc1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C14H21Cl2N/c1-10(2)14(3,9-17-4)8-11-12(15)6-5-7-13(11)16/h5-7,10,17H,8-9H2,1-4H3
InChIKeyYRAJLXZPYFCKIC-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2,2-dimethylpentyl)-1,3-dichlorobenzene
CID 64718339
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159242
1-(tert-butylamino)-3-(2,6-dichlorophenyl)-2-methylpropan-2-ol
CID 66038942
N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 102859251
3-(2,6-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 62739420
1-[2-chloro-6-(2-methylpropylsulfanyl)phenyl]-N-methylmethanamine
CID 63809725
N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374397
1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol
CID 114493258
1-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-2-ol
CID 115630633
2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 82805898
2-[(2-chloro-3-fluorophenyl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 112654272

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine (CID 83159201) is 2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine is CNCC(C)(Cc1c(Cl)cccc1Cl)C(C)C.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine?
The InChIKey is YRAJLXZPYFCKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-10(2)14(3,9-17-4)8-11-12(15)6-5-7-13(11)16/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine?
2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 83159201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).