N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine

C20H25NO2 — CID 51990581

IUPACN-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCc1ccccc1COc1ccccc1CNC[C@@H]1CCCO1
InChIInChI=1S/C20H25NO2/c1-16-7-2-3-9-18(16)15-23-20-11-5-4-8-17(20)13-21-14-19-10-6-12-22-19/h2-5,7-9,11,19,21H,6,10,12-15H2,1H3/t19-/m0/s1
InChIKeyDFRCHTSKLHASCZ-IBGZPJMESA-N
MW311.43 g/mol
LogP3.84
Rot. Bonds7

About N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine

N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 51990581) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID51990581
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCc1ccccc1COc1ccccc1CNC[C@@H]1CCCO1
InChIInChI=1S/C20H25NO2/c1-16-7-2-3-9-18(16)15-23-20-11-5-4-8-17(20)13-21-14-19-10-6-12-22-19/h2-5,7-9,11,19,21H,6,10,12-15H2,1H3/t19-/m0/s1
InChIKeyDFRCHTSKLHASCZ-IBGZPJMESA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
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
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 2964115
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 4722191
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 46736214
N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990884
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278
2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 54807643
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 95167614
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834252

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 51990581) is N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine is Cc1ccccc1COc1ccccc1CNC[C@@H]1CCCO1.
What is the InChIKey of N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is DFRCHTSKLHASCZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO2/c1-16-7-2-3-9-18(16)15-23-20-11-5-4-8-17(20)13-21-14-19-10-6-12-22-19/h2-5,7-9,11,19,21H,6,10,12-15H2,1H3/t19-/m0/s1.
What are the key properties of N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 311.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 51990581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).