2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline

C15H16ClNO — CID 43194707

IUPAC2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
SMILESCOc1ccccc1C(C)Nc1ccccc1Cl
InChIInChI=1S/C15H16ClNO/c1-11(12-7-3-6-10-15(12)18-2)17-14-9-5-4-8-13(14)16/h3-11,17H,1-2H3
InChIKeyMKGSIIICKBUHLN-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.52
Rot. Bonds4

About 2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline

2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline (PubChem CID 43194707) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
PubChem CID43194707
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
SMILESCOc1ccccc1C(C)Nc1ccccc1Cl
InChIInChI=1S/C15H16ClNO/c1-11(12-7-3-6-10-15(12)18-2)17-14-9-5-4-8-13(14)16/h3-11,17H,1-2H3
InChIKeyMKGSIIICKBUHLN-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

2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43106627
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
2-methoxy-N-[1-(2-methylphenyl)ethyl]aniline
CID 43191325
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43763076
2,3-dichloro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772205
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
2-[1-(4-chloro-2,5-dimethoxyanilino)ethyl]phenol
CID 43105239
4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 107618729

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline (CID 43194707) is 2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline is COc1ccccc1C(C)Nc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline?
The InChIKey is MKGSIIICKBUHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11(12-7-3-6-10-15(12)18-2)17-14-9-5-4-8-13(14)16/h3-11,17H,1-2H3.
What are the key properties of 2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline?
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline 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 2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43194707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).