N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine

C20H27NO2 — CID 119107449

IUPACN-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
SMILESCOc1ccccc1CNCc1cccc(COC(C)(C)C)c1
InChIInChI=1S/C20H27NO2/c1-20(2,3)23-15-17-9-7-8-16(12-17)13-21-14-18-10-5-6-11-19(18)22-4/h5-12,21H,13-15H2,1-4H3
InChIKeyQERRMKWYCQKTMP-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.30
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine

N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine (PubChem CID 119107449) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
PubChem CID119107449
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
SMILESCOc1ccccc1CNCc1cccc(COC(C)(C)C)c1
InChIInChI=1S/C20H27NO2/c1-20(2,3)23-15-17-9-7-8-16(12-17)13-21-14-18-10-5-6-11-19(18)22-4/h5-12,21H,13-15H2,1-4H3
InChIKeyQERRMKWYCQKTMP-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107414
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
CID 174192701
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 119107461
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
N-[(4-methoxy-3-nitrophenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119124848
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 119107430
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113222
1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine
CID 119110641
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 119107424
N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 119126928
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
CID 17365854
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine (CID 119107449) is N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine is COc1ccccc1CNCc1cccc(COC(C)(C)C)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
The InChIKey is QERRMKWYCQKTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-20(2,3)23-15-17-9-7-8-16(12-17)13-21-14-18-10-5-6-11-19(18)22-4/h5-12,21H,13-15H2,1-4H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine?
N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine has a molecular weight of 313.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine is sourced from PubChem (CID 119107449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).