N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine

C18H23NO2 — CID 62110034

IUPACN-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine
SMILESCNCC(OCCOc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H23NO2/c1-15-8-10-16(11-9-15)18(14-19-2)21-13-12-20-17-6-4-3-5-7-17/h3-11,18-19H,12-14H2,1-2H3
InChIKeyOYNOXGUVHNDDOI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.35
Rot. Bonds8

About N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine

N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine (PubChem CID 62110034) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine
PubChem CID62110034
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine
SMILESCNCC(OCCOc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H23NO2/c1-15-8-10-16(11-9-15)18(14-19-2)21-13-12-20-17-6-4-3-5-7-17/h3-11,18-19H,12-14H2,1-2H3
InChIKeyOYNOXGUVHNDDOI-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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

2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine
CID 106204976
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294
N-methyl-2-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275302
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
2-(4-methylphenyl)-5-phenoxypentan-1-ol
CID 79437004
1-methyl-4-(3-phenoxypropylsulfanyl)benzene
CID 101473758
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
N-methyl-3-phenoxypropan-1-amine
CID 22067856
2-phenoxyethyl 3-acetamido-3-(4-methylphenyl)propanoate
CID 86906524
N-methyl-5-phenoxy-2-propylpentan-1-amine
CID 55156688
2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine
CID 55036521
3-(4-methylphenoxy)propoxy-phenylmethanol
CID 57023348

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine?
The IUPAC name of N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine (CID 62110034) is N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine is CNCC(OCCOc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine?
The InChIKey is OYNOXGUVHNDDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-8-10-16(11-9-15)18(14-19-2)21-13-12-20-17-6-4-3-5-7-17/h3-11,18-19H,12-14H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine?
N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-2-(2-phenoxyethoxy)ethanamine is sourced from PubChem (CID 62110034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).