N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline

C15H16ClNO — CID 43179240

IUPACN-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
SMILESCOc1cccc(NC(C)c2ccccc2Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11(14-8-3-4-9-15(14)16)17-12-6-5-7-13(10-12)18-2/h3-11,17H,1-2H3
InChIKeyNHWHBMUDRXQBHZ-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.52
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline

N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline (PubChem CID 43179240) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
PubChem CID43179240
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
SMILESCOc1cccc(NC(C)c2ccccc2Cl)c1
InChIInChI=1S/C15H16ClNO/c1-11(14-8-3-4-9-15(14)16)17-12-6-5-7-13(10-12)18-2/h3-11,17H,1-2H3
InChIKeyNHWHBMUDRXQBHZ-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-3-ethoxyaniline
CID 54864881
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(3-methoxyphenyl)thiourea
CID 8629064
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline
CID 43765572
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492
3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43101704
N-[1-(2-chlorophenyl)ethyl]-3-methoxy-5-nitroaniline
CID 80732876
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
N-[1-(2-chlorophenyl)ethyl]-6-methoxypyridin-3-amine
CID 43189825
3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]benzamide
CID 28650557
3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline (CID 43179240) is N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline is COc1cccc(NC(C)c2ccccc2Cl)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline?
The InChIKey is NHWHBMUDRXQBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11(14-8-3-4-9-15(14)16)17-12-6-5-7-13(10-12)18-2/h3-11,17H,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline?
N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline has a molecular weight of 261.75 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 43179240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).