2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine

C14H20Cl3N — CID 114168462

IUPAC2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine
SMILESCCC(CC)C(Cl)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl3N/c1-3-10(4-2)14(17)9-18-8-11-5-6-12(15)7-13(11)16/h5-7,10,14,18H,3-4,8-9H2,1-2H3
InChIKeyNQSYPEOCKRHWRJ-UHFFFAOYSA-N
MW308.68 g/mol
LogP5.13
Rot. Bonds7

About 2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine

2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine (PubChem CID 114168462) has the molecular formula C14H20Cl3N and a molecular weight of 308.68 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine
PubChem CID114168462
Molecular FormulaC14H20Cl3N
Molecular Weight308.68 g/mol
Exact Mass307.07
IUPAC Name2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine
SMILESCCC(CC)C(Cl)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl3N/c1-3-10(4-2)14(17)9-18-8-11-5-6-12(15)7-13(11)16/h5-7,10,14,18H,3-4,8-9H2,1-2H3
InChIKeyNQSYPEOCKRHWRJ-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.68
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 65029881
N-[(2,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 103602762
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
2-chloro-N-[(4-chloro-2-fluorophenyl)methyl]butan-1-amine
CID 114859402
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
N-[(2,4-dichlorophenyl)methyl]-2-prop-2-enoxypropan-1-amine
CID 114264048
1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103845041
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
1-(2,4-dichlorophenyl)-3-ethylpentan-2-ol
CID 65148381

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine?
The IUPAC name of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine (CID 114168462) is 2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine.
What is the SMILES notation for 2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine?
The canonical SMILES for 2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine is CCC(CC)C(Cl)CNCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine?
The InChIKey is NQSYPEOCKRHWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl3N/c1-3-10(4-2)14(17)9-18-8-11-5-6-12(15)7-13(11)16/h5-7,10,14,18H,3-4,8-9H2,1-2H3.
What are the key properties of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine?
2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine has a molecular weight of 308.68 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-dichlorophenyl)methyl]-3-ethylpentan-1-amine is sourced from PubChem (CID 114168462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).