N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine

C18H23NO — CID 4675153

IUPACN-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
SMILESCCN(CC)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-3-19(4-2)14-17-11-8-12-18(13-17)20-15-16-9-6-5-7-10-16/h5-13H,3-4,14-15H2,1-2H3
InChIKeyTZHIYQMIZVIOLP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.11
Rot. Bonds7

About N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine

N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 4675153) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID4675153
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
SMILESCCN(CC)Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H23NO/c1-3-19(4-2)14-17-11-8-12-18(13-17)20-15-16-9-6-5-7-10-16/h5-13H,3-4,14-15H2,1-2H3
InChIKeyTZHIYQMIZVIOLP-UHFFFAOYSA-N
XLogP4.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
1-phenylmethoxy-3-propylbenzene
CID 58977798
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1-(2-bromoethoxy)-3-phenylmethoxybenzene
CID 23294563
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
N,N-diethyl-3-(phenoxymethyl)aniline
CID 54126573
N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
CID 21407152
N-benzyl-N-ethylethanamine;ethene
CID 174895763
CID 57452903
CID 57452903
N-benzyl-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 783617
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine (CID 4675153) is N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine is CCN(CC)Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is TZHIYQMIZVIOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-19(4-2)14-17-11-8-12-18(13-17)20-15-16-9-6-5-7-10-16/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 4675153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).