1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine

C17H21NO2 — CID 738542

IUPAC1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCOc1ccc(CNCc2ccccc2OC)cc1
InChIInChI=1S/C17H21NO2/c1-3-20-16-10-8-14(9-11-16)12-18-13-15-6-4-5-7-17(15)19-2/h4-11,18H,3,12-13H2,1-2H3
InChIKeyNVRCYCNSEDFZIP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.38
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine

1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine (PubChem CID 738542) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
PubChem CID738542
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCCOc1ccc(CNCc2ccccc2OC)cc1
InChIInChI=1S/C17H21NO2/c1-3-20-16-10-8-14(9-11-16)12-18-13-15-6-4-5-7-17(15)19-2/h4-11,18H,3,12-13H2,1-2H3
InChIKeyNVRCYCNSEDFZIP-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 163367032
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036
N,N-diethyl-4-[[(2-methoxyphenyl)methylamino]methyl]aniline;dihydrochloride
CID 17208220
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848630
1-(4-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79979679
1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
CID 43220519
2-methoxy-6-[[(4-propoxyphenyl)methylamino]methyl]phenol
CID 45030034
2-[4-[[(2-ethoxyphenyl)methylamino]methyl]phenoxy]-N-ethylacetamide
CID 56822891
1-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17054326
1-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 119106543

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine (CID 738542) is 1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine is CCOc1ccc(CNCc2ccccc2OC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine?
The InChIKey is NVRCYCNSEDFZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-20-16-10-8-14(9-11-16)12-18-13-15-6-4-5-7-17(15)19-2/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine?
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 738542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).