N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline

C19H23NO3 — CID 54799584

IUPACN-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline
SMILESCOc1ccccc1CNc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H23NO3/c1-21-19-7-3-2-5-15(19)13-20-16-8-10-17(11-9-16)23-14-18-6-4-12-22-18/h2-3,5,7-11,18,20H,4,6,12-14H2,1H3
InChIKeyZPSPJTXLLJCVKQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.87
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline

N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline (PubChem CID 54799584) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline
PubChem CID54799584
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline
SMILESCOc1ccccc1CNc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C19H23NO3/c1-21-19-7-3-2-5-15(19)13-20-16-8-10-17(11-9-16)23-14-18-6-4-12-22-18/h2-3,5,7-11,18,20H,4,6,12-14H2,1H3
InChIKeyZPSPJTXLLJCVKQ-UHFFFAOYSA-N
XLogP3.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-[[2-(2-phenylethoxy)phenyl]methyl]aniline
CID 54799580
N-[(2-butoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802241
N-[2-(2-tert-butylphenoxy)ethyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799558
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline
CID 54799656
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 54805225
N-[(3,5-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 46736285
1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine
CID 43818929
N-[2-(2-butan-2-ylphenoxy)ethyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799685
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799559
2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline (CID 54799584) is N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline is COc1ccccc1CNc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline?
The InChIKey is ZPSPJTXLLJCVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-21-19-7-3-2-5-15(19)13-20-16-8-10-17(11-9-16)23-14-18-6-4-12-22-18/h2-3,5,7-11,18,20H,4,6,12-14H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline?
N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline has a molecular weight of 313.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline is sourced from PubChem (CID 54799584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).