N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine

C18H29NO2 — CID 79422692

IUPACN-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine
SMILESCOCCNCC(CC1CCOCC1)c1cccc(C)c1
InChIInChI=1S/C18H29NO2/c1-15-4-3-5-17(12-15)18(14-19-8-11-20-2)13-16-6-9-21-10-7-16/h3-5,12,16,18-19H,6-11,13-14H2,1-2H3
InChIKeyWDRCJVRUEGPISU-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.13
Rot. Bonds8

About N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine

N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine (PubChem CID 79422692) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine
PubChem CID79422692
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine
SMILESCOCCNCC(CC1CCOCC1)c1cccc(C)c1
InChIInChI=1S/C18H29NO2/c1-15-4-3-5-17(12-15)18(14-19-8-11-20-2)13-16-6-9-21-10-7-16/h3-5,12,16,18-19H,6-11,13-14H2,1-2H3
InChIKeyWDRCJVRUEGPISU-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.13
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-bromo-2-(3-methylphenyl)propyl]oxane
CID 79423563
2-cycloheptyl-N-(2-methoxyethyl)-2-(3-methylphenyl)ethanamine
CID 82933659
4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine
CID 82930758
3-(furan-3-yl)-N-(2-methoxyethyl)-2-(3-methylphenyl)propan-1-amine
CID 83183304
2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine
CID 79442884
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
1-(3-methylphenyl)-2-[1-(oxan-4-yl)propan-2-ylamino]ethanol
CID 75515421
6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 104649439
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79422698
N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
CID 79442605
N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111410

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine (CID 79422692) is N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine is COCCNCC(CC1CCOCC1)c1cccc(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine?
The InChIKey is WDRCJVRUEGPISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15-4-3-5-17(12-15)18(14-19-8-11-20-2)13-16-6-9-21-10-7-16/h3-5,12,16,18-19H,6-11,13-14H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine?
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 79422692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).