N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine

C17H21NO — CID 60797781

IUPACN-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1cccc(OC)c1
InChIInChI=1S/C17H21NO/c1-4-18-17(14-8-5-7-13(2)11-14)15-9-6-10-16(12-15)19-3/h5-12,17-18H,4H2,1-3H3
InChIKeyVHABMRZQRABYLF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.70
Rot. Bonds5

About N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine

N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 60797781) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
PubChem CID60797781
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1cccc(OC)c1
InChIInChI=1S/C17H21NO/c1-4-18-17(14-8-5-7-13(2)11-14)15-9-6-10-16(12-15)19-3/h5-12,17-18H,4H2,1-3H3
InChIKeyVHABMRZQRABYLF-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)-(3-propoxyphenyl)methyl]ethanamine
CID 115790073
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107973557
N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60964653
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790055
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
CID 63019538
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine (CID 60797781) is N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1cccc(OC)c1.
What is the InChIKey of N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is VHABMRZQRABYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-18-17(14-8-5-7-13(2)11-14)15-9-6-10-16(12-15)19-3/h5-12,17-18H,4H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 60797781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).