N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine

C19H25NO — CID 105349406

IUPACN-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine
SMILESCCNCCc1ccc(COC(C)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-3-20-14-13-17-9-11-18(12-10-17)15-21-16(2)19-7-5-4-6-8-19/h4-12,16,20H,3,13-15H2,1-2H3
InChIKeyFRKFNEAPMVIMHL-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.12
Rot. Bonds8

About N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine

N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine (PubChem CID 105349406) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine
PubChem CID105349406
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine
SMILESCCNCCc1ccc(COC(C)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-3-20-14-13-17-9-11-18(12-10-17)15-21-16(2)19-7-5-4-6-8-19/h4-12,16,20H,3,13-15H2,1-2H3
InChIKeyFRKFNEAPMVIMHL-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-[2-[4-(methoxymethyl)phenyl]ethyl]-1-phenylethanamine
CID 154810135
2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid
CID 105344853
2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide
CID 105351383
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
N-[2-(1-phenylethoxy)ethyl]propan-1-amine
CID 62444581
N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62445521
2,3-dimethyl-N-(2-phenylethyl)pentan-1-amine
CID 22955485
4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407
2-ethoxy-N-[2-(1-phenylethoxy)ethyl]ethanamine
CID 62566170
hexan-3-yloxymethylbenzene
CID 20782034
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-(1-phenylethyl)-4-propylaniline
CID 43078217

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine (CID 105349406) is N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine is CCNCCc1ccc(COC(C)c2ccccc2)cc1.
What is the InChIKey of N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine?
The InChIKey is FRKFNEAPMVIMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-20-14-13-17-9-11-18(12-10-17)15-21-16(2)19-7-5-4-6-8-19/h4-12,16,20H,3,13-15H2,1-2H3.
What are the key properties of N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine?
N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine has a molecular weight of 283.41 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 105349406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).