N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine

C19H23Cl2NO2 — CID 4716403

IUPACN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H23Cl2NO2/c1-2-23-10-4-9-22-13-15-5-3-6-18(11-15)24-14-16-7-8-17(20)12-19(16)21/h3,5-8,11-12,22H,2,4,9-10,13-14H2,1H3
InChIKeyFRKRIIHNJXBTOY-UHFFFAOYSA-N
MW368.30 g/mol
LogP5.09
Rot. Bonds10

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

N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine (PubChem CID 4716403) has the molecular formula C19H23Cl2NO2 and a molecular weight of 368.30 g/mol. Its IUPAC name is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
PubChem CID4716403
Molecular FormulaC19H23Cl2NO2
Molecular Weight368.30 g/mol
Exact Mass367.11
IUPAC NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H23Cl2NO2/c1-2-23-10-4-9-22-13-15-5-3-6-18(11-15)24-14-16-7-8-17(20)12-19(16)21/h3,5-8,11-12,22H,2,4,9-10,13-14H2,1H3
InChIKeyFRKRIIHNJXBTOY-UHFFFAOYSA-N
XLogP5.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.30
LogP ≤ 55.09
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]-3-ethoxypropan-1-amine
CID 4716372
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862
3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 17055087
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718513
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17295971
(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726182
2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17209881
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720614
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290892
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715527
N',N'-dibutyl-N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214557

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine (CID 4716403) is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine is CCOCCCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine?
The InChIKey is FRKRIIHNJXBTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO2/c1-2-23-10-4-9-22-13-15-5-3-6-18(11-15)24-14-16-7-8-17(20)12-19(16)21/h3,5-8,11-12,22H,2,4,9-10,13-14H2,1H3.
What are the key properties of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine?
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine has a molecular weight of 368.30 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 4716403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).