2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine

C21H27NO2 — CID 54807643

IUPAC2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCc1ccccc1CCNCc1ccccc1OCC1CCCO1
InChIInChI=1S/C21H27NO2/c1-17-7-2-3-8-18(17)12-13-22-15-19-9-4-5-11-21(19)24-16-20-10-6-14-23-20/h2-5,7-9,11,20,22H,6,10,12-16H2,1H3
InChIKeyAIRCJPDCMPMUKC-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.89
Rot. Bonds8

About 2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine

2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 54807643) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID54807643
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
SMILESCc1ccccc1CCNCc1ccccc1OCC1CCCO1
InChIInChI=1S/C21H27NO2/c1-17-7-2-3-8-18(17)12-13-22-15-19-9-4-5-11-21(19)24-16-20-10-6-14-23-20/h2-5,7-9,11,20,22H,6,10,12-16H2,1H3
InChIKeyAIRCJPDCMPMUKC-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.89
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-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 54805225
2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588
N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54850096
1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54849898
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17054250
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine (CID 54807643) is 2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine is Cc1ccccc1CCNCc1ccccc1OCC1CCCO1.
What is the InChIKey of 2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is AIRCJPDCMPMUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-17-7-2-3-8-18(17)12-13-22-15-19-9-4-5-11-21(19)24-16-20-10-6-14-23-20/h2-5,7-9,11,20,22H,6,10,12-16H2,1H3.
What are the key properties of 2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine?
2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 325.45 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 54807643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).