(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine

C15H25NO2 — CID 171210846

IUPAC(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
SMILESCCOc1cc([C@H](N)CCC(C)C)ccc1OC
InChIInChI=1S/C15H25NO2/c1-5-18-15-10-12(7-9-14(15)17-4)13(16)8-6-11(2)3/h7,9-11,13H,5-6,8,16H2,1-4H3/t13-/m1/s1
InChIKeyQLVDEDIOSZAHAZ-CYBMUJFWSA-N
MW251.37 g/mol
LogP3.53
Rot. Bonds7

About (1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine

(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine (PubChem CID 171210846) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
PubChem CID171210846
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine
SMILESCCOc1cc([C@H](N)CCC(C)C)ccc1OC
InChIInChI=1S/C15H25NO2/c1-5-18-15-10-12(7-9-14(15)17-4)13(16)8-6-11(2)3/h7,9-11,13H,5-6,8,16H2,1-4H3/t13-/m1/s1
InChIKeyQLVDEDIOSZAHAZ-CYBMUJFWSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-ethoxy-4-methoxyphenyl)butane-1,4-diamine
CID 171210802
(3R)-3-amino-3-(3-ethoxy-4-methoxyphenyl)propan-1-ol
CID 67175570
(1S)-1-(3-ethoxy-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171230415
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine
CID 66516767
(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171210844
(1S)-1-(3-ethoxy-4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171210799
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171210798
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
1-(3-ethoxy-4-methoxyphenyl)-3-methylsulfonylpropan-1-amine
CID 142700262

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine?
The IUPAC name of (1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine (CID 171210846) is (1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine.
What is the SMILES notation for (1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine?
The canonical SMILES for (1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine is CCOc1cc([C@H](N)CCC(C)C)ccc1OC.
What is the InChIKey of (1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine?
The InChIKey is QLVDEDIOSZAHAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-18-15-10-12(7-9-14(15)17-4)13(16)8-6-11(2)3/h7,9-11,13H,5-6,8,16H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine?
(1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-ethoxy-4-methoxyphenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 171210846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).