N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine

C18H23NO2 — CID 62444200

IUPACN-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine
SMILESCNCc1ccc(OCCOC(C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-15(17-6-4-3-5-7-17)20-12-13-21-18-10-8-16(9-11-18)14-19-2/h3-11,15,19H,12-14H2,1-2H3
InChIKeyICKSHGJYSJUWEN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.56
Rot. Bonds8

About N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine

N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine (PubChem CID 62444200) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine
PubChem CID62444200
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine
SMILESCNCc1ccc(OCCOC(C)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-15(17-6-4-3-5-7-17)20-12-13-21-18-10-8-16(9-11-18)14-19-2/h3-11,15,19H,12-14H2,1-2H3
InChIKeyICKSHGJYSJUWEN-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.56
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

[4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine
CID 43254276
N-methyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-2-amine
CID 62419349
4,4,5,5-tetramethyl-2-[4-[2-(1-phenylethoxy)ethoxy]phenyl]-1,3,2-dioxaborolane
CID 113249657
1-[4-[2-(3,5-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62784164
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
N-methyl-1-[4-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62698762
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
N-[(4-butan-2-yloxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 46736287
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
CID 62451901
N-methyl-1-[4-[2-(2-methylbutan-2-yloxy)ethoxy]phenyl]methanamine
CID 55077757
1-(2-bromoethoxy)ethylbenzene
CID 24688557

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine (CID 62444200) is N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine is CNCc1ccc(OCCOC(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine?
The InChIKey is ICKSHGJYSJUWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15(17-6-4-3-5-7-17)20-12-13-21-18-10-8-16(9-11-18)14-19-2/h3-11,15,19H,12-14H2,1-2H3.
What are the key properties of N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine?
N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[2-(1-phenylethoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 62444200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).