N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline

C23H24ClNO2 — CID 54801396

IUPACN-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline
SMILESClc1ccccc1CCCNc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H24ClNO2/c24-21-13-5-4-9-19(21)10-8-16-25-22-14-6-7-15-23(22)27-18-17-26-20-11-2-1-3-12-20/h1-7,9,11-15,25H,8,10,16-18H2
InChIKeyKBSXJXFITUFEKV-UHFFFAOYSA-N
MW381.90 g/mol
LogP5.84
Rot. Bonds10

About N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline

N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline (PubChem CID 54801396) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline
PubChem CID54801396
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC NameN-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline
SMILESClc1ccccc1CCCNc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H24ClNO2/c24-21-13-5-4-9-19(21)10-8-16-25-22-14-6-7-15-23(22)27-18-17-26-20-11-2-1-3-12-20/h1-7,9,11-15,25H,8,10,16-18H2
InChIKeyKBSXJXFITUFEKV-UHFFFAOYSA-N
XLogP5.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.90
LogP ≤ 55.84
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

1-chloro-2-(3-phenoxypropyl)benzene
CID 174487660
N-[3-(2-chlorophenyl)propyl]-4-(3-phenylpropoxy)aniline
CID 54801149
N-[3-(2-chlorophenyl)propyl]-4-propoxyaniline
CID 54799488
N-[3-(2-chlorophenyl)propyl]-2-(oxolan-2-ylmethoxy)aniline
CID 54803011
N-ethyl-2-(2-phenoxyethoxy)aniline
CID 54801094
2-(2-chloroanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54810463
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
N-[3-(2-chlorophenyl)propyl]-2,3-dimethylaniline
CID 54797840
2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline
CID 60679690
N-[2-(2-chlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801723
3-[3-[4-[3-(2-chlorophenyl)propoxy]phenyl]propylamino]propanoic acid
CID 23121519
3-(2-chlorophenyl)-N-(2-phenoxyethoxy)propanamide
CID 110632928

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline (CID 54801396) is N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline is Clc1ccccc1CCCNc1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline?
The InChIKey is KBSXJXFITUFEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO2/c24-21-13-5-4-9-19(21)10-8-16-25-22-14-6-7-15-23(22)27-18-17-26-20-11-2-1-3-12-20/h1-7,9,11-15,25H,8,10,16-18H2.
What are the key properties of N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline?
N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline has a molecular weight of 381.90 g/mol, XLogP of 5.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-2-(2-phenoxyethoxy)aniline is sourced from PubChem (CID 54801396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).