N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine

C19H25NO — CID 60919282

IUPACN-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1cccc(OCC)c1
InChIInChI=1S/C19H25NO/c1-5-20-19(17-11-14(3)10-15(4)12-17)16-8-7-9-18(13-16)21-6-2/h7-13,19-20H,5-6H2,1-4H3
InChIKeyMCCJPIUIQZRSJB-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.40
Rot. Bonds6

About N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine

N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine (PubChem CID 60919282) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
PubChem CID60919282
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1cccc(OCC)c1
InChIInChI=1S/C19H25NO/c1-5-20-19(17-11-14(3)10-15(4)12-17)16-8-7-9-18(13-16)21-6-2/h7-13,19-20H,5-6H2,1-4H3
InChIKeyMCCJPIUIQZRSJB-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)-(3-propoxyphenyl)methyl]ethanamine
CID 115790073
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416
N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105022297
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107946517
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(2-bromo-3-methylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107985285
N-[(3-ethoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 63988191
N-[(5-chlorofuran-2-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 106692823
N-[phenyl-(3-propoxyphenyl)methyl]ethanamine
CID 62920706
N-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107968848

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine (CID 60919282) is N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(C)c1)c1cccc(OCC)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine?
The InChIKey is MCCJPIUIQZRSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-20-19(17-11-14(3)10-15(4)12-17)16-8-7-9-18(13-16)21-6-2/h7-13,19-20H,5-6H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine?
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60919282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).