2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline

C16H16ClNO — CID 76997582

IUPAC2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline
SMILESCOc1ccc(Cl)c(NCC=Cc2ccccc2)c1
InChIInChI=1S/C16H16ClNO/c1-19-14-9-10-15(17)16(12-14)18-11-5-8-13-6-3-2-4-7-13/h2-10,12,18H,11H2,1H3
InChIKeyZVZXTDKNOUEYIK-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.47
Rot. Bonds5

About 2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline

2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline (PubChem CID 76997582) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline
PubChem CID76997582
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline
SMILESCOc1ccc(Cl)c(NCC=Cc2ccccc2)c1
InChIInChI=1S/C16H16ClNO/c1-19-14-9-10-15(17)16(12-14)18-11-5-8-13-6-3-2-4-7-13/h2-10,12,18H,11H2,1H3
InChIKeyZVZXTDKNOUEYIK-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
CID 11414530
2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
CID 104726942
2-chloro-5-methoxy-N-(3-phenylprop-2-ynyl)aniline
CID 62339525
2-(2-chloro-5-methoxyanilino)-N-phenylacetamide
CID 47408313
1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol
CID 114492958
2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline
CID 107606608
2-chloro-5-methoxy-N-(3-phenylbutyl)aniline
CID 63453629
2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 112588961
4-methoxy-2-[(Z)-3-phenylprop-2-enyl]phenol
CID 10263673
3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline
CID 73471536
4-methoxy-3-[[(E)-3-phenylprop-2-enyl]amino]benzoic acid
CID 17058701
3,5-dichloro-N-(3-phenylprop-2-enyl)aniline
CID 78605740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline?
The IUPAC name of 2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline (CID 76997582) is 2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline.
What is the SMILES notation for 2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline?
The canonical SMILES for 2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline is COc1ccc(Cl)c(NCC=Cc2ccccc2)c1.
What is the InChIKey of 2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline?
The InChIKey is ZVZXTDKNOUEYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-19-14-9-10-15(17)16(12-14)18-11-5-8-13-6-3-2-4-7-13/h2-10,12,18H,11H2,1H3.
What are the key properties of 2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline?
2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline has a molecular weight of 273.76 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline is sourced from PubChem (CID 76997582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).