3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine

C14H21Cl2N — CID 63401781

IUPAC3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(Cc1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C14H21Cl2N/c1-9(2)13(10(3)17-4)7-11-5-6-12(15)8-14(11)16/h5-6,8-10,13,17H,7H2,1-4H3
InChIKeyFXBXNVOYKQRJOJ-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.42
Rot. Bonds5

About 3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine

3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine (PubChem CID 63401781) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
PubChem CID63401781
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(Cc1ccc(Cl)cc1Cl)C(C)C
InChIInChI=1S/C14H21Cl2N/c1-9(2)13(10(3)17-4)7-11-5-6-12(15)8-14(11)16/h5-6,8-10,13,17H,7H2,1-4H3
InChIKeyFXBXNVOYKQRJOJ-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

1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
CID 83161129
1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116719918
3-[(4-bromo-2-fluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 62914728
2-[(2,4-dichlorophenyl)methyl]-3-methylbutan-1-ol
CID 66059189
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
3-[(4-bromo-2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 113471085
3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 82920845
3-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
CID 106865003
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531
3-(2,4-dichlorophenyl)-2-methylpropanal
CID 91884147
2-(2,4-dichlorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115840099

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine (CID 63401781) is 3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine is CNC(C)C(Cc1ccc(Cl)cc1Cl)C(C)C.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine?
The InChIKey is FXBXNVOYKQRJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-9(2)13(10(3)17-4)7-11-5-6-12(15)8-14(11)16/h5-6,8-10,13,17H,7H2,1-4H3.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine?
3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-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 3-[(2,4-dichlorophenyl)methyl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 63401781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).