N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine

C18H23NO2 — CID 163367032

IUPACN-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCCOc1cccc(CNCc2ccc(OC)cc2)c1C
InChIInChI=1S/C18H23NO2/c1-4-21-18-7-5-6-16(14(18)2)13-19-12-15-8-10-17(20-3)11-9-15/h5-11,19H,4,12-13H2,1-3H3
InChIKeyWOSAMFGVCZLMIP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.69
Rot. Bonds7

About N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine

N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine (PubChem CID 163367032) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine
PubChem CID163367032
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine
SMILESCCOc1cccc(CNCc2ccc(OC)cc2)c1C
InChIInChI=1S/C18H23NO2/c1-4-21-18-7-5-6-16(14(18)2)13-19-12-15-8-10-17(20-3)11-9-15/h5-11,19H,4,12-13H2,1-3H3
InChIKeyWOSAMFGVCZLMIP-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
1-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17054326
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848630
1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
CID 43220519
3-[[(4-methoxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 61318048
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid
CID 163327227
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724093
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332601
2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol
CID 45030034
1-(4-ethoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962438

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine (CID 163367032) is N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine is CCOc1cccc(CNCc2ccc(OC)cc2)c1C.
What is the InChIKey of N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
The InChIKey is WOSAMFGVCZLMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-21-18-7-5-6-16(14(18)2)13-19-12-15-8-10-17(20-3)11-9-15/h5-11,19H,4,12-13H2,1-3H3.
What are the key properties of N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine?
N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 163367032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).