2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine

C16H25Cl2N — CID 63508313

IUPAC2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2N/c1-5-16(4,11-19-10-12(2)3)9-13-6-7-14(17)8-15(13)18/h6-8,12,19H,5,9-11H2,1-4H3
InChIKeySGWRBVVDIPTENE-UHFFFAOYSA-N
MW302.29 g/mol
LogP5.20
Rot. Bonds7

About 2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine

2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 63508313) has the molecular formula C16H25Cl2N and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID63508313
Molecular FormulaC16H25Cl2N
Molecular Weight302.29 g/mol
Exact Mass301.14
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H25Cl2N/c1-5-16(4,11-19-10-12(2)3)9-13-6-7-14(17)8-15(13)18/h6-8,12,19H,5,9-11H2,1-4H3
InChIKeySGWRBVVDIPTENE-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.29
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63517804
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63509370
2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718470
1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66039611
2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol
CID 62775164
2-[(2-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62725874
2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509342
2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63508741
2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 63509368
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 103041075
4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene
CID 70931596
2-[(2,4-dichlorophenyl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
CID 83138820

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 63508313) is 2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine is CCC(C)(CNCC(C)C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is SGWRBVVDIPTENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N/c1-5-16(4,11-19-10-12(2)3)9-13-6-7-14(17)8-15(13)18/h6-8,12,19H,5,9-11H2,1-4H3.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 302.29 g/mol, XLogP of 5.20, 7 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-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63508313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).