N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine

C20H25NO2 — CID 17054250

IUPACN-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccc(COc2ccccc2CNCC2CCCO2)cc1
InChIInChI=1S/C20H25NO2/c1-16-8-10-17(11-9-16)15-23-20-7-3-2-5-18(20)13-21-14-19-6-4-12-22-19/h2-3,5,7-11,19,21H,4,6,12-15H2,1H3
InChIKeyAMWRCESCQQAPKY-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.84
Rot. Bonds7

About N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine

N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 17054250) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
PubChem CID17054250
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1ccc(COc2ccccc2CNCC2CCCO2)cc1
InChIInChI=1S/C20H25NO2/c1-16-8-10-17(11-9-16)15-23-20-7-3-2-5-18(20)13-21-14-19-6-4-12-22-19/h2-3,5,7-11,19,21H,4,6,12-15H2,1H3
InChIKeyAMWRCESCQQAPKY-UHFFFAOYSA-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-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 2964115
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29187254
N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990884
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 46736211
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7248431
N-[[2-(2-ethoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 46736214
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 4722191
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine (CID 17054250) is N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine is Cc1ccc(COc2ccccc2CNCC2CCCO2)cc1.
What is the InChIKey of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is AMWRCESCQQAPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16-8-10-17(11-9-16)15-23-20-7-3-2-5-18(20)13-21-14-19-6-4-12-22-19/h2-3,5,7-11,19,21H,4,6,12-15H2,1H3.
What are the key properties of N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine?
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(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-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 17054250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).