N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine

C20H25Cl2NO2 — CID 4716681

IUPACN-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C20H25Cl2NO2/c1-3-4-5-10-23-13-15-6-9-19(20(11-15)24-2)25-14-16-7-8-17(21)12-18(16)22/h6-9,11-12,23H,3-5,10,13-14H2,1-2H3
InChIKeyBKNKXWXEVQUIHA-UHFFFAOYSA-N
MW382.33 g/mol
LogP5.86
Rot. Bonds10

About N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine

N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine (PubChem CID 4716681) has the molecular formula C20H25Cl2NO2 and a molecular weight of 382.33 g/mol. Its IUPAC name is N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
PubChem CID4716681
Molecular FormulaC20H25Cl2NO2
Molecular Weight382.33 g/mol
Exact Mass381.13
IUPAC NameN-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C20H25Cl2NO2/c1-3-4-5-10-23-13-15-6-9-19(20(11-15)24-2)25-14-16-7-8-17(21)12-18(16)22/h6-9,11-12,23H,3-5,10,13-14H2,1-2H3
InChIKeyBKNKXWXEVQUIHA-UHFFFAOYSA-N
XLogP5.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.33
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]octan-1-amine;hydrochloride
CID 17331190
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]pentan-1-amine;hydrochloride
CID 17290984
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]heptan-1-amine
CID 4716899
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 4719461
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]hexan-1-amine
CID 4719476
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 4716372
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-1-amine;hydrochloride
CID 17293721
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride
CID 17291021
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723938
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209578
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716843
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17291681

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine?
The IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine (CID 4716681) is N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine.
What is the SMILES notation for N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine?
The canonical SMILES for N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine is CCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine?
The InChIKey is BKNKXWXEVQUIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2NO2/c1-3-4-5-10-23-13-15-6-9-19(20(11-15)24-2)25-14-16-7-8-17(21)12-18(16)22/h6-9,11-12,23H,3-5,10,13-14H2,1-2H3.
What are the key properties of N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine?
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine has a molecular weight of 382.33 g/mol, XLogP of 5.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine is sourced from PubChem (CID 4716681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).