(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine

C15H26N2O — CID 827396

IUPAC(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cc1ccc(OCCN(C)C)cc1)N(C)C
InChIInChI=1S/C15H26N2O/c1-13(17(4)5)12-14-6-8-15(9-7-14)18-11-10-16(2)3/h6-9,13H,10-12H2,1-5H3/t13-/m1/s1
InChIKeyXIOSTRKJALJLBZ-CYBMUJFWSA-N
MW250.39 g/mol
LogP2.12
Rot. Bonds7

About (2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine

(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine (PubChem CID 827396) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
PubChem CID827396
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
SMILESC[C@H](Cc1ccc(OCCN(C)C)cc1)N(C)C
InChIInChI=1S/C15H26N2O/c1-13(17(4)5)12-14-6-8-15(9-7-14)18-11-10-16(2)3/h6-9,13H,10-12H2,1-5H3/t13-/m1/s1
InChIKeyXIOSTRKJALJLBZ-CYBMUJFWSA-N
XLogP2.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(diethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine
CID 3079535
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
CID 19885274
1-[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-N-methylpropan-2-amine
CID 110447832
4-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-amine
CID 16786701
N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
CID 3079543
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
2-[4-[2-(dimethylamino)ethoxy]phenyl]ethanol
CID 83390498
2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine
CID 143961238
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N-propylbutan-2-amine
CID 43279821
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
4-[2-(dimethylamino)ethoxy]-N-(2-methylpentan-3-yl)aniline
CID 54863929
[4-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethynyl]phenyl]methanol
CID 171661609

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine?
The IUPAC name of (2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine (CID 827396) is (2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine.
What is the SMILES notation for (2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine?
The canonical SMILES for (2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine is C[C@H](Cc1ccc(OCCN(C)C)cc1)N(C)C.
What is the InChIKey of (2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine?
The InChIKey is XIOSTRKJALJLBZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(17(4)5)12-14-6-8-15(9-7-14)18-11-10-16(2)3/h6-9,13H,10-12H2,1-5H3/t13-/m1/s1.
What are the key properties of (2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine?
(2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 827396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).