1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine

C14H21Cl2N — CID 55228646

IUPAC1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)C(C)CC
InChIInChI=1S/C14H21Cl2N/c1-4-10(3)14(17-5-2)8-11-6-7-12(15)9-13(11)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyBUELUXLZNIKTLO-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.56
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine

1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine (PubChem CID 55228646) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
PubChem CID55228646
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)C(C)CC
InChIInChI=1S/C14H21Cl2N/c1-4-10(3)14(17-5-2)8-11-6-7-12(15)9-13(11)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyBUELUXLZNIKTLO-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495499
1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 61066271
1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132131
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine
CID 106866972
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 107884718
3-(2,5-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 103516664
1-(2,4-dichlorophenyl)-3-methoxy-N,4-dimethylpentan-2-amine
CID 116719918
1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate
CID 82351330
1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
CID 63526507
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956
1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 63413199

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine (CID 55228646) is 1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine is CCNC(Cc1ccc(Cl)cc1Cl)C(C)CC.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine?
The InChIKey is BUELUXLZNIKTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-4-10(3)14(17-5-2)8-11-6-7-12(15)9-13(11)16/h6-7,9-10,14,17H,4-5,8H2,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine?
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine has a molecular weight of 274.23 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine is sourced from PubChem (CID 55228646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).