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

C12H17Cl2N — CID 63046656

IUPACN-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
SMILESCCC(C)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N/c1-3-9(2)15-7-6-10-4-5-11(13)12(14)8-10/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyRDKYXUQMGMXWCT-UHFFFAOYSA-N
MW246.18 g/mol
LogP3.92
Rot. Bonds5

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

N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine (PubChem CID 63046656) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
PubChem CID63046656
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
SMILESCCC(C)NCCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2N/c1-3-9(2)15-7-6-10-4-5-11(13)12(14)8-10/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyRDKYXUQMGMXWCT-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997
2-[2-(3,4-dichlorophenyl)ethylamino]propanenitrile
CID 115130451
1-N-[2-(3,4-dichlorophenyl)ethyl]propane-1,2-diamine
CID 115196851
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline
CID 115715577
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
N-[2-(3,5-difluorophenyl)ethyl]butan-2-amine
CID 62604630
1,2-dichloro-4-(3-chlorobutyl)benzene
CID 63461279
N-[2-(3,4-dichlorophenyl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 91346922
1-(3,4-dichlorophenyl)pentan-3-amine
CID 43370516

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine (CID 63046656) is N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine is CCC(C)NCCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine?
The InChIKey is RDKYXUQMGMXWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-3-9(2)15-7-6-10-4-5-11(13)12(14)8-10/h4-5,8-9,15H,3,6-7H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine?
N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine has a molecular weight of 246.18 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine is sourced from PubChem (CID 63046656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).