N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine

C20H25NO2 — CID 54804154

IUPACN-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
SMILESCc1cccc(CNCc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C20H25NO2/c1-16-5-2-6-17(11-16)13-21-14-18-7-3-8-19(12-18)23-15-20-9-4-10-22-20/h2-3,5-8,11-12,20-21H,4,9-10,13-15H2,1H3
InChIKeyQCHUULITOULGQE-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.84
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine

N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine (PubChem CID 54804154) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
PubChem CID54804154
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
SMILESCc1cccc(CNCc2cccc(OCC3CCCO3)c2)c1
InChIInChI=1S/C20H25NO2/c1-16-5-2-6-17(11-16)13-21-14-18-7-3-8-19(12-18)23-15-20-9-4-10-22-20/h2-3,5-8,11-12,20-21H,4,9-10,13-15H2,1H3
InChIKeyQCHUULITOULGQE-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-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
N-[2-(3-methylphenoxy)ethyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799632
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802595
N-[(3-ethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163939
3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 94615559
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
7-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 92562598
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746
1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide
CID 94817888
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine (CID 54804154) is N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine is Cc1cccc(CNCc2cccc(OCC3CCCO3)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine?
The InChIKey is QCHUULITOULGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-16-5-2-6-17(11-16)13-21-14-18-7-3-8-19(12-18)23-15-20-9-4-10-22-20/h2-3,5-8,11-12,20-21H,4,9-10,13-15H2,1H3.
What are the key properties of N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine?
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]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-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 54804154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).