1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine

C22H23NO — CID 54797328

IUPAC1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
SMILESc1ccc(CCOc2ccccc2CNCc2ccccc2)cc1
InChIInChI=1S/C22H23NO/c1-3-9-19(10-4-1)15-16-24-22-14-8-7-13-21(22)18-23-17-20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyXTILQYGJWUUEKJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.60
Rot. Bonds8

About 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine

1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine (PubChem CID 54797328) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
PubChem CID54797328
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
SMILESc1ccc(CCOc2ccccc2CNCc2ccccc2)cc1
InChIInChI=1S/C22H23NO/c1-3-9-19(10-4-1)15-16-24-22-14-8-7-13-21(22)18-23-17-20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyXTILQYGJWUUEKJ-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804431
N-(furan-2-ylmethyl)-1-[2-(2-phenylethoxy)phenyl]methanamine
CID 54797970
N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine
CID 39370998
1-phenyl-2-[[2-(2-phenylethoxy)phenyl]methyl]hydrazine
CID 169385834
N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60892643
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295917
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795991
[[2-(2-phenylethoxy)phenyl]methylamino] 2-phenylacetate
CID 87890217
N-benzyl-2-[2-(3-methylbutyl)phenoxy]ethanamine
CID 54084041

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine (CID 54797328) is 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine is c1ccc(CCOc2ccccc2CNCc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine?
The InChIKey is XTILQYGJWUUEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-3-9-19(10-4-1)15-16-24-22-14-8-7-13-21(22)18-23-17-20-11-5-2-6-12-20/h1-14,23H,15-18H2.
What are the key properties of 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine?
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine has a molecular weight of 317.43 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 54797328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).