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

C23H25NO — CID 46736198

IUPAC1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
SMILESCC(NCc1ccccc1OCCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO/c1-19(21-12-6-3-7-13-21)24-18-22-14-8-9-15-23(22)25-17-16-20-10-4-2-5-11-20/h2-15,19,24H,16-18H2,1H3
InChIKeyCYISGRRQXNONOI-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.16
Rot. Bonds8

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

1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine (PubChem CID 46736198) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
PubChem CID46736198
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
SMILESCC(NCc1ccccc1OCCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H25NO/c1-19(21-12-6-3-7-13-21)24-18-22-14-8-9-15-23(22)25-17-16-20-10-4-2-5-11-20/h2-15,19,24H,16-18H2,1H3
InChIKeyCYISGRRQXNONOI-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
CID 71178192
(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990570
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 60892832
(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine
CID 29221946
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54797328
N-[(4-fluorophenyl)methyl]-1-[4-(2-phenylethoxy)phenyl]ethanamine
CID 54803868
(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990873
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine (CID 46736198) is 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine is CC(NCc1ccccc1OCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine?
The InChIKey is CYISGRRQXNONOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-19(21-12-6-3-7-13-21)24-18-22-14-8-9-15-23(22)25-17-16-20-10-4-2-5-11-20/h2-15,19,24H,16-18H2,1H3.
What are the key properties of 1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine?
1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine has a molecular weight of 331.46 g/mol, XLogP of 5.16, 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]ethanamine is sourced from PubChem (CID 46736198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).