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

C20H27NO3 — CID 54848630

IUPACN-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCCOc1c(CNCc2ccc(OC(C)C)cc2)cccc1OC
InChIInChI=1S/C20H27NO3/c1-5-23-20-17(7-6-8-19(20)22-4)14-21-13-16-9-11-18(12-10-16)24-15(2)3/h6-12,15,21H,5,13-14H2,1-4H3
InChIKeyUETCVODFEIGQID-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.17
Rot. Bonds9

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

N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 54848630) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID54848630
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCCOc1c(CNCc2ccc(OC(C)C)cc2)cccc1OC
InChIInChI=1S/C20H27NO3/c1-5-23-20-17(7-6-8-19(20)22-4)14-21-13-16-9-11-18(12-10-16)24-15(2)3/h6-12,15,21H,5,13-14H2,1-4H3
InChIKeyUETCVODFEIGQID-UHFFFAOYSA-N
XLogP4.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hexoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848693
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 39422668
1-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 738542
4-[[(3-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]benzoic acid
CID 120509415
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206683
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 2997335
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208974
N-[(3-ethoxy-2-methylphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 163367032
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43388382
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724093
1-(4-tert-butylphenyl)-N-[(2-hexoxy-3-methoxyphenyl)methyl]methanamine
CID 54804594
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine (CID 54848630) is N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine is CCOc1c(CNCc2ccc(OC(C)C)cc2)cccc1OC.
What is the InChIKey of N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is UETCVODFEIGQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-5-23-20-17(7-6-8-19(20)22-4)14-21-13-16-9-11-18(12-10-16)24-15(2)3/h6-12,15,21H,5,13-14H2,1-4H3.
What are the key properties of N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 329.44 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 54848630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).