N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine

C13H19Cl2N — CID 43094066

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
SMILESCC(NC(C)C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-8(2)9(3)16-10(4)12-6-5-11(14)7-13(12)15/h5-10,16H,1-4H3
InChIKeyDJWMEQNTIJXNNB-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.69
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine

N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine (PubChem CID 43094066) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
PubChem CID43094066
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
SMILESCC(NC(C)C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2N/c1-8(2)9(3)16-10(4)12-6-5-11(14)7-13(12)15/h5-10,16H,1-4H3
InChIKeyDJWMEQNTIJXNNB-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867800
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
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N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047890
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
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2,4-dichloro-1-(1-chloro-2-methylpropyl)benzene
CID 63443975
1-(2,4-dichlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
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CID 81374924

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine (CID 43094066) is N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine is CC(NC(C)C(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine?
The InChIKey is DJWMEQNTIJXNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N/c1-8(2)9(3)16-10(4)12-6-5-11(14)7-13(12)15/h5-10,16H,1-4H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine has a molecular weight of 260.21 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 43094066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).