5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline

C16H18ClNO — CID 894349

IUPAC5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
SMILESCCOc1ccccc1CNc1cc(Cl)ccc1C
InChIInChI=1S/C16H18ClNO/c1-3-19-16-7-5-4-6-13(16)11-18-15-10-14(17)9-8-12(15)2/h4-10,18H,3,11H2,1-2H3
InChIKeyXPFSEMWBVVSLMV-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.66
Rot. Bonds5

About 5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline

5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline (PubChem CID 894349) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
PubChem CID894349
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
SMILESCCOc1ccccc1CNc1cc(Cl)ccc1C
InChIInChI=1S/C16H18ClNO/c1-3-19-16-7-5-4-6-13(16)11-18-15-10-14(17)9-8-12(15)2/h4-10,18H,3,11H2,1-2H3
InChIKeyXPFSEMWBVVSLMV-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methyl-N-[(2-propoxyphenyl)methyl]aniline
CID 39394866
N-[(2-butoxyphenyl)methyl]-5-chloro-2-methylaniline
CID 39432260
5-chloro-2-methyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39432274
5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118257
3-[(2-ethoxyphenyl)methylamino]-4-methylbenzoic acid
CID 17059260
2-[(5-chloro-2-ethoxyanilino)methyl]phenol
CID 54865428
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585263
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118021
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline
CID 43766538

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline (CID 894349) is 5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline is CCOc1ccccc1CNc1cc(Cl)ccc1C.
What is the InChIKey of 5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline?
The InChIKey is XPFSEMWBVVSLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-19-16-7-5-4-6-13(16)11-18-15-10-14(17)9-8-12(15)2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline?
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline has a molecular weight of 275.78 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 894349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).