N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline

C16H18ClNO — CID 65125666

IUPACN-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline
SMILESCc1cccc(NCCOCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO/c1-13-3-2-4-16(11-13)18-9-10-19-12-14-5-7-15(17)8-6-14/h2-8,11,18H,9-10,12H2,1H3
InChIKeyYZMGPNCPHYRGER-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.28
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline

N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline (PubChem CID 65125666) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline
PubChem CID65125666
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline
SMILESCc1cccc(NCCOCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClNO/c1-13-3-2-4-16(11-13)18-9-10-19-12-14-5-7-15(17)8-6-14/h2-8,11,18H,9-10,12H2,1H3
InChIKeyYZMGPNCPHYRGER-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
N-[2-(2-ethoxyethoxy)ethyl]-3-methylaniline
CID 23009144
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline
CID 54796172
N-[2-[(4-chlorophenyl)methoxy]ethyl]-4,6-dimethylpyrimidin-2-amine
CID 133390142
1-(4-chlorophenyl)-3-(3-methylanilino)propan-1-one
CID 94283002
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126124166
N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-3-methylaniline
CID 64601633
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3,3-dimethylbutan-1-amine
CID 65125865
3-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561477
5-bromo-N-[2-[(4-chlorophenyl)methoxy]ethyl]pyrimidin-2-amine
CID 133390150
N-[2-[(4-chlorophenyl)methoxy]ethyl]pyridin-2-amine
CID 133390134

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline?
The IUPAC name of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline (CID 65125666) is N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline?
The canonical SMILES for N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline is Cc1cccc(NCCOCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline?
The InChIKey is YZMGPNCPHYRGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-13-3-2-4-16(11-13)18-9-10-19-12-14-5-7-15(17)8-6-14/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline?
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline has a molecular weight of 275.78 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline is sourced from PubChem (CID 65125666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).