N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine

C17H19Cl2NO — CID 60689892

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine
SMILESClc1ccc(CCNCCCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c18-15-8-7-14(17(19)13-15)9-11-20-10-4-12-21-16-5-2-1-3-6-16/h1-3,5-8,13,20H,4,9-12H2
InChIKeyUWWUQWCPGQGDNV-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.59
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine

N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine (PubChem CID 60689892) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine
PubChem CID60689892
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine
SMILESClc1ccc(CCNCCCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C17H19Cl2NO/c18-15-8-7-14(17(19)13-15)9-11-20-10-4-12-21-16-5-2-1-3-6-16/h1-3,5-8,13,20H,4,9-12H2
InChIKeyUWWUQWCPGQGDNV-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
3-(4-chlorophenoxy)-N-(2-phenylethyl)propan-1-amine
CID 82097635
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
2-(2,4-dichlorophenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 79214047
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
CID 43377886
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005315
N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
CID 30053289
1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
CID 62620850
1-chloro-2-(3-phenoxypropyl)benzene
CID 174487660
2-[4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]phenoxy]acetic acid;hydrochloride
CID 17209910

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine (CID 60689892) is N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine is Clc1ccc(CCNCCCOc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine?
The InChIKey is UWWUQWCPGQGDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c18-15-8-7-14(17(19)13-15)9-11-20-10-4-12-21-16-5-2-1-3-6-16/h1-3,5-8,13,20H,4,9-12H2.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine has a molecular weight of 324.25 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine is sourced from PubChem (CID 60689892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).