N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine

C17H21NO2 — CID 39370998

IUPACN-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine
SMILESCOCCOc1ccccc1CNCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-19-11-12-20-17-10-6-5-9-16(17)14-18-13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3
InChIKeyWNDPRNNWBXRBQT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.00
Rot. Bonds8

About N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine

N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine (PubChem CID 39370998) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine
PubChem CID39370998
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine
SMILESCOCCOc1ccccc1CNCc1ccccc1
InChIInChI=1S/C17H21NO2/c1-19-11-12-20-17-10-6-5-9-16(17)14-18-13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3
InChIKeyWNDPRNNWBXRBQT-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54797328
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804431
[2-(2-methoxyethoxy)phenyl]methylhydrazine
CID 105220831
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline
CID 54802511
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine
CID 4721375
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295917
methyl 3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63949511

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine (CID 39370998) is N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine is COCCOc1ccccc1CNCc1ccccc1.
What is the InChIKey of N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine?
The InChIKey is WNDPRNNWBXRBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-19-11-12-20-17-10-6-5-9-16(17)14-18-13-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3.
What are the key properties of N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine?
N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)phenyl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 39370998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).