N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline

C17H20ClNO2 — CID 60935769

IUPACN-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClNO2/c1-13(14-6-8-15(18)9-7-14)19-16-4-3-5-17(12-16)21-11-10-20-2/h3-9,12-13,19H,10-11H2,1-2H3
InChIKeyHVIDYJPEARUHLO-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.54
Rot. Bonds7

About N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline

N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline (PubChem CID 60935769) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline
PubChem CID60935769
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NC(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClNO2/c1-13(14-6-8-15(18)9-7-14)19-16-4-3-5-17(12-16)21-11-10-20-2/h3-9,12-13,19H,10-11H2,1-2H3
InChIKeyHVIDYJPEARUHLO-UHFFFAOYSA-N
XLogP4.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.54
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-[1-(4-chlorophenyl)ethyl]-3-propoxyaniline
CID 43693690
3-(2-methoxyethoxy)-N-pentan-3-ylaniline
CID 54864774
N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 115918848
3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 60935267
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-ethoxyaniline
CID 60935970
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
CID 91316664
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 113353838
N-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762008
2-[3-(2-methoxyethoxy)anilino]-N-(1-phenylethyl)acetamide
CID 54829392
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline (CID 60935769) is N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline is COCCOc1cccc(NC(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline?
The InChIKey is HVIDYJPEARUHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-13(14-6-8-15(18)9-7-14)19-16-4-3-5-17(12-16)21-11-10-20-2/h3-9,12-13,19H,10-11H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline?
N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline has a molecular weight of 305.81 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 60935769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).