4-(methoxymethyl)-N-(2-phenylethyl)aniline

C16H19NO — CID 83961080

IUPAC4-(methoxymethyl)-N-(2-phenylethyl)aniline
SMILESCOCc1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-18-13-15-7-9-16(10-8-15)17-12-11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChIKeyRWXZGNUYBFOQFS-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.49
Rot. Bonds6

About 4-(methoxymethyl)-N-(2-phenylethyl)aniline

4-(methoxymethyl)-N-(2-phenylethyl)aniline (PubChem CID 83961080) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(2-phenylethyl)aniline
PubChem CID83961080
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-(methoxymethyl)-N-(2-phenylethyl)aniline
SMILESCOCc1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-18-13-15-7-9-16(10-8-15)17-12-11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChIKeyRWXZGNUYBFOQFS-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(2-phenylethyl)aniline
CID 91194556
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
4-methylsulfonyl-N-(2-phenylethyl)aniline
CID 4654221
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
4-[(2R)-2-aminopropyl]-N-(2-phenylethyl)aniline
CID 66675261
lithium;hydride;methoxymethylbenzene
CID 174456658
(1R)-N-[2-[4-(methoxymethyl)phenyl]ethyl]-1-phenylethanamine
CID 154810135
5-[4-(methoxymethyl)anilino]pentan-1-ol
CID 83961071

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(2-phenylethyl)aniline?
The IUPAC name of 4-(methoxymethyl)-N-(2-phenylethyl)aniline (CID 83961080) is 4-(methoxymethyl)-N-(2-phenylethyl)aniline.
What is the SMILES notation for 4-(methoxymethyl)-N-(2-phenylethyl)aniline?
The canonical SMILES for 4-(methoxymethyl)-N-(2-phenylethyl)aniline is COCc1ccc(NCCc2ccccc2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-(2-phenylethyl)aniline?
The InChIKey is RWXZGNUYBFOQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-18-13-15-7-9-16(10-8-15)17-12-11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3.
What are the key properties of 4-(methoxymethyl)-N-(2-phenylethyl)aniline?
4-(methoxymethyl)-N-(2-phenylethyl)aniline has a molecular weight of 241.33 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(2-phenylethyl)aniline is sourced from PubChem (CID 83961080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).