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

C14H21Cl2N — CID 107307054

IUPAC3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine
SMILESCCNC(C)C(CC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2N/c1-4-11(10(3)17-5-2)9-12-7-6-8-13(15)14(12)16/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyOEMOZYDEYQJCDH-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.56
Rot. Bonds6

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

3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine (PubChem CID 107307054) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine
PubChem CID107307054
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC Name3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine
SMILESCCNC(C)C(CC)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2N/c1-4-11(10(3)17-5-2)9-12-7-6-8-13(15)14(12)16/h6-8,10-11,17H,4-5,9H2,1-3H3
InChIKeyOEMOZYDEYQJCDH-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

1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107308560
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030
3-(2,3-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 107311776
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
CID 107312099
1-(2,3-dichlorophenyl)propane-2-thiol
CID 169111936
3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62914731
2-(2,3-dichlorophenyl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 107312340
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
3-[(2,6-dichlorophenyl)methyl]-N-methylpentan-2-amine
CID 61000700
2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 107308628

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine (CID 107307054) is 3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine is CCNC(C)C(CC)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine?
The InChIKey is OEMOZYDEYQJCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-4-11(10(3)17-5-2)9-12-7-6-8-13(15)14(12)16/h6-8,10-11,17H,4-5,9H2,1-3H3.
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine?
3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-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 3-[(2,3-dichlorophenyl)methyl]-N-ethylpentan-2-amine is sourced from PubChem (CID 107307054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).