N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine

C14H21NO3 — CID 63335368

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
SMILESCOCCOc1cc(C)ccc1NC1CCOC1
InChIInChI=1S/C14H21NO3/c1-11-3-4-13(15-12-5-6-17-10-12)14(9-11)18-8-7-16-2/h3-4,9,12,15H,5-8,10H2,1-2H3
InChIKeyQSCBSBLUANPBJW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.22
Rot. Bonds6

About N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine

N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine (PubChem CID 63335368) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
PubChem CID63335368
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
SMILESCOCCOc1cc(C)ccc1NC1CCOC1
InChIInChI=1S/C14H21NO3/c1-11-3-4-13(15-12-5-6-17-10-12)14(9-11)18-8-7-16-2/h3-4,9,12,15H,5-8,10H2,1-2H3
InChIKeyQSCBSBLUANPBJW-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,1-dioxothian-4-amine
CID 60934699
N-(2-methoxy-5-methylphenyl)oxolan-3-amine
CID 63331725
N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 62633183
N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 63453168
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methylthiolan-3-amine
CID 102671001
N-(2-bromo-5-methylphenyl)oxolan-3-amine
CID 82761747
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364385
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline
CID 115916601
N-(2-methoxyphenyl)oxolan-3-amine
CID 14978001
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine (CID 63335368) is N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine is COCCOc1cc(C)ccc1NC1CCOC1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine?
The InChIKey is QSCBSBLUANPBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-3-4-13(15-12-5-6-17-10-12)14(9-11)18-8-7-16-2/h3-4,9,12,15H,5-8,10H2,1-2H3.
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine?
N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine has a molecular weight of 251.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine is sourced from PubChem (CID 63335368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).