(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

C15H25NO3 — CID 103939561

IUPAC(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
SMILESCOc1cc([C@@H](C)N)ccc1OCCOC(C)(C)C
InChIInChI=1S/C15H25NO3/c1-11(16)12-6-7-13(14(10-12)17-5)18-8-9-19-15(2,3)4/h6-7,10-11H,8-9,16H2,1-5H3/t11-/m1/s1
InChIKeyJVEIBXKOAYFWIA-LLVKDONJSA-N
MW267.37 g/mol
LogP2.91
Rot. Bonds6

About (1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine

(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine (PubChem CID 103939561) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
PubChem CID103939561
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
SMILESCOc1cc([C@@H](C)N)ccc1OCCOC(C)(C)C
InChIInChI=1S/C15H25NO3/c1-11(16)12-6-7-13(14(10-12)17-5)18-8-9-19-15(2,3)4/h6-7,10-11H,8-9,16H2,1-5H3/t11-/m1/s1
InChIKeyJVEIBXKOAYFWIA-LLVKDONJSA-N
XLogP2.91
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
(1R)-1-(3-methoxy-4-pent-4-ynoxyphenyl)ethanamine
CID 113374141
1-(3-methoxy-4-nonoxyphenyl)ethanamine
CID 43129036
1-[4-(1-aminoethyl)-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60879775
tert-butyl N-[2-[4-(1-aminoethyl)-2-methoxyphenoxy]ethyl]carbamate
CID 66552517
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
5-[4-(1-aminoethyl)-2-methoxyphenoxy]pentanenitrile
CID 54966259
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79629501

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine (CID 103939561) is (1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine is COc1cc([C@@H](C)N)ccc1OCCOC(C)(C)C.
What is the InChIKey of (1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
The InChIKey is JVEIBXKOAYFWIA-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11(16)12-6-7-13(14(10-12)17-5)18-8-9-19-15(2,3)4/h6-7,10-11H,8-9,16H2,1-5H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine?
(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 103939561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).