N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine

C17H28N2O2 — CID 82731104

IUPACN-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine
SMILESCOCCNCc1ccc(N(C)C2CCOC2C)cc1C
InChIInChI=1S/C17H28N2O2/c1-13-11-16(19(3)17-7-9-21-14(17)2)6-5-15(13)12-18-8-10-20-4/h5-6,11,14,17-18H,7-10,12H2,1-4H3
InChIKeySOZKRAPZAVJWFW-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.34
Rot. Bonds7

About N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine

N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine (PubChem CID 82731104) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine
PubChem CID82731104
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine
SMILESCOCCNCc1ccc(N(C)C2CCOC2C)cc1C
InChIInChI=1S/C17H28N2O2/c1-13-11-16(19(3)17-7-9-21-14(17)2)6-5-15(13)12-18-8-10-20-4/h5-6,11,14,17-18H,7-10,12H2,1-4H3
InChIKeySOZKRAPZAVJWFW-UHFFFAOYSA-N
XLogP2.34
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine (CID 82731104) is N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine is COCCNCc1ccc(N(C)C2CCOC2C)cc1C.
What is the InChIKey of N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine?
The InChIKey is SOZKRAPZAVJWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-11-16(19(3)17-7-9-21-14(17)2)6-5-15(13)12-18-8-10-20-4/h5-6,11,14,17-18H,7-10,12H2,1-4H3.
What are the key properties of N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine?
N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine has a molecular weight of 292.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyethylamino)methyl]-3-methylphenyl]-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82731104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).