1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine

C17H21NO — CID 43105094

IUPAC1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
SMILESCCc1ccc(C(N)COc2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO/c1-3-14-6-8-15(9-7-14)17(18)12-19-16-10-4-13(2)5-11-16/h4-11,17H,3,12,18H2,1-2H3
InChIKeyNHLAVPQHPNGFGO-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.64
Rot. Bonds5

About 1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine

1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine (PubChem CID 43105094) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
PubChem CID43105094
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
SMILESCCc1ccc(C(N)COc2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO/c1-3-14-6-8-15(9-7-14)17(18)12-19-16-10-4-13(2)5-11-16/h4-11,17H,3,12,18H2,1-2H3
InChIKeyNHLAVPQHPNGFGO-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine
CID 43094130
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
CID 117244673
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43106889
2-(2,6-dimethylphenoxy)-1-(4-ethylphenyl)ethanamine
CID 43100320
1-(4-ethoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 105140871
1-(4-ethylphenoxy)butan-2-amine
CID 62038281
2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine
CID 43110699
2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
CID 63036402
2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16793482
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 117242744

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine?
The IUPAC name of 1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine (CID 43105094) is 1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine is CCc1ccc(C(N)COc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine?
The InChIKey is NHLAVPQHPNGFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-14-6-8-15(9-7-14)17(18)12-19-16-10-4-13(2)5-11-16/h4-11,17H,3,12,18H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine?
1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine is sourced from PubChem (CID 43105094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).