N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline

C16H18ClNO2 — CID 54797523

IUPACN-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline
SMILESCOc1cccc(NCC(C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO2/c1-12(20-15-8-6-13(17)7-9-15)11-18-14-4-3-5-16(10-14)19-2/h3-10,12,18H,11H2,1-2H3
InChIKeyIZVTWTRQJUAUJV-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.23
Rot. Bonds6

About N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline

N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline (PubChem CID 54797523) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline
PubChem CID54797523
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC NameN-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline
SMILESCOc1cccc(NCC(C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO2/c1-12(20-15-8-6-13(17)7-9-15)11-18-14-4-3-5-16(10-14)19-2/h3-10,12,18H,11H2,1-2H3
InChIKeyIZVTWTRQJUAUJV-UHFFFAOYSA-N
XLogP4.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butoxy-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 46736300
N-[2-(4-methoxyphenoxy)propyl]-3-(3-methylbutoxy)aniline
CID 54800565
N-[2-(4-methoxyphenoxy)propyl]-3-phenylmethoxyaniline
CID 54801327
3-(2-ethoxyethoxy)-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54802183
3-chloro-4-methoxy-N-(2-phenoxypropyl)aniline
CID 54798696
N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline
CID 54797517
3-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)propyl]aniline
CID 54803087
3-butan-2-yloxy-N-[(4-chlorophenyl)methyl]aniline
CID 54802725
N-[2-(4-tert-butylphenoxy)propyl]-3-(2-methoxyethoxy)aniline
CID 54803138
ethane;N-ethyl-3-methoxyaniline
CID 142222302
3-ethoxy-N-[2-(3-methylphenoxy)propyl]aniline
CID 46736308
N-[2-(4-chlorophenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802913

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline?
The IUPAC name of N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline (CID 54797523) is N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline.
What is the SMILES notation for N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline?
The canonical SMILES for N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline is COc1cccc(NCC(C)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline?
The InChIKey is IZVTWTRQJUAUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-12(20-15-8-6-13(17)7-9-15)11-18-14-4-3-5-16(10-14)19-2/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline?
N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline has a molecular weight of 291.78 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline is sourced from PubChem (CID 54797523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).