N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine

C20H24Cl3NO — CID 4716843

IUPACN-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
SMILESCCCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H24Cl3NO/c1-2-3-4-5-10-24-13-16-11-17(21)8-9-20(16)25-14-15-6-7-18(22)12-19(15)23/h6-9,11-12,24H,2-5,10,13-14H2,1H3
InChIKeyPTTPKTSKDDCBQN-UHFFFAOYSA-N
MW400.78 g/mol
LogP6.90
Rot. Bonds10

About N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine

N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine (PubChem CID 4716843) has the molecular formula C20H24Cl3NO and a molecular weight of 400.78 g/mol. Its IUPAC name is N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
PubChem CID4716843
Molecular FormulaC20H24Cl3NO
Molecular Weight400.78 g/mol
Exact Mass399.09
IUPAC NameN-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
SMILESCCCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H24Cl3NO/c1-2-3-4-5-10-24-13-16-11-17(21)8-9-20(16)25-14-15-6-7-18(22)12-19(15)23/h6-9,11-12,24H,2-5,10,13-14H2,1H3
InChIKeyPTTPKTSKDDCBQN-UHFFFAOYSA-N
XLogP6.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.78
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-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

N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]pentan-1-amine;hydrochloride
CID 17291027
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]heptan-1-amine
CID 4716899
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331190
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]heptan-1-amine
CID 66532640
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 4716681
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-butoxypropan-1-amine
CID 17207665
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]heptan-1-amine
CID 4716941
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]pentan-1-amine;hydrochloride
CID 17290984

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine?
The IUPAC name of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine (CID 4716843) is N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine?
The canonical SMILES for N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine is CCCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine?
The InChIKey is PTTPKTSKDDCBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl3NO/c1-2-3-4-5-10-24-13-16-11-17(21)8-9-20(16)25-14-15-6-7-18(22)12-19(15)23/h6-9,11-12,24H,2-5,10,13-14H2,1H3.
What are the key properties of N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine?
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine has a molecular weight of 400.78 g/mol, XLogP of 6.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine is sourced from PubChem (CID 4716843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).