(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine

C17H21NO — CID 63367548

IUPAC(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
SMILESCCc1ccc(COc2ccc([C@@H](C)N)cc2)cc1
InChIInChI=1S/C17H21NO/c1-3-14-4-6-15(7-5-14)12-19-17-10-8-16(9-11-17)13(2)18/h4-11,13H,3,12,18H2,1-2H3/t13-/m1/s1
InChIKeyBIUNZNJBMBTGKR-CYBMUJFWSA-N
MW255.36 g/mol
LogP3.85
Rot. Bonds5

About (1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine

(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine (PubChem CID 63367548) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
PubChem CID63367548
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
SMILESCCc1ccc(COc2ccc([C@@H](C)N)cc2)cc1
InChIInChI=1S/C17H21NO/c1-3-14-4-6-15(7-5-14)12-19-17-10-8-16(9-11-17)13(2)18/h4-11,13H,3,12,18H2,1-2H3/t13-/m1/s1
InChIKeyBIUNZNJBMBTGKR-CYBMUJFWSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
CID 105350533
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenoxy]methyl]benzene
CID 142493435
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78933049
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683
1-[3-chloro-4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 115649377
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine (CID 63367548) is (1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine is CCc1ccc(COc2ccc([C@@H](C)N)cc2)cc1.
What is the InChIKey of (1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is BIUNZNJBMBTGKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-14-4-6-15(7-5-14)12-19-17-10-8-16(9-11-17)13(2)18/h4-11,13H,3,12,18H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine?
(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 63367548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).