N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine

C15H22Cl3NO — CID 83046652

IUPACN-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine
SMILESCCCC(CNCC(C)C)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H22Cl3NO/c1-4-5-11(9-19-8-10(2)3)20-15-7-13(17)12(16)6-14(15)18/h6-7,10-11,19H,4-5,8-9H2,1-3H3
InChIKeyCSOBCMZKBXNZAK-UHFFFAOYSA-N
MW338.71 g/mol
LogP5.44
Rot. Bonds8

About N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine

N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine (PubChem CID 83046652) has the molecular formula C15H22Cl3NO and a molecular weight of 338.71 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine
PubChem CID83046652
Molecular FormulaC15H22Cl3NO
Molecular Weight338.71 g/mol
Exact Mass337.08
IUPAC NameN-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine
SMILESCCCC(CNCC(C)C)Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H22Cl3NO/c1-4-5-11(9-19-8-10(2)3)20-15-7-13(17)12(16)6-14(15)18/h6-7,10-11,19H,4-5,8-9H2,1-3H3
InChIKeyCSOBCMZKBXNZAK-UHFFFAOYSA-N
XLogP5.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.71
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-2,5-dichlorophenoxy)-N-methylpentan-1-amine
CID 107661046
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83045564
2-(2-fluoro-3-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107661313
N-(2-methylpropyl)-2-quinolin-5-yloxypentan-1-amine
CID 103045732
N-(2-methylpropyl)-2-[2-[(E)-prop-1-enyl]phenoxy]pentan-1-amine
CID 83044799
ethyl 2-(2,4,5-trichlorophenoxy)pentanoate
CID 83038818
2-(3-fluoro-4-methylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107170893
N-(2-methylpropyl)-2-(4-methylsulfanylphenoxy)pentan-1-amine
CID 83044384
1-butan-2-yloxy-2,4,5-trichlorobenzene
CID 518247
2-(4-chloro-2-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63498764
3-methoxy-N-propan-2-yl-2-(2,4,5-trichlorophenoxy)propan-1-amine
CID 103228070
2-(4-bromo-2,5-dichlorophenoxy)-3-methoxy-N-propylpropan-1-amine
CID 107661120

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine (CID 83046652) is N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine is CCCC(CNCC(C)C)Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine?
The InChIKey is CSOBCMZKBXNZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl3NO/c1-4-5-11(9-19-8-10(2)3)20-15-7-13(17)12(16)6-14(15)18/h6-7,10-11,19H,4-5,8-9H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine?
N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine has a molecular weight of 338.71 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2,4,5-trichlorophenoxy)pentan-1-amine is sourced from PubChem (CID 83046652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).