(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine

C13H21NO3 — CID 78960200

IUPAC(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
SMILESCOCC(C)Oc1ccc([C@H](C)N)cc1OC
InChIInChI=1S/C13H21NO3/c1-9(8-15-3)17-12-6-5-11(10(2)14)7-13(12)16-4/h5-7,9-10H,8,14H2,1-4H3/t9?,10-/m0/s1
InChIKeyUHHXYVZRLCPQEA-AXDSSHIGSA-N
MW239.31 g/mol
LogP2.13
Rot. Bonds6

About (1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine

(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine (PubChem CID 78960200) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
PubChem CID78960200
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
SMILESCOCC(C)Oc1ccc([C@H](C)N)cc1OC
InChIInChI=1S/C13H21NO3/c1-9(8-15-3)17-12-6-5-11(10(2)14)7-13(12)16-4/h5-7,9-10H,8,14H2,1-4H3/t9?,10-/m0/s1
InChIKeyUHHXYVZRLCPQEA-AXDSSHIGSA-N
XLogP2.13
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-bromo-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78956397
(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 30078360
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
CID 16790112
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]propanoic acid
CID 55189911
methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
CID 63366880
4,5-dimethoxy-2-(1-methoxypropan-2-yloxy)aniline
CID 83008789
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine (CID 78960200) is (1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine is COCC(C)Oc1ccc([C@H](C)N)cc1OC.
What is the InChIKey of (1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine?
The InChIKey is UHHXYVZRLCPQEA-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(8-15-3)17-12-6-5-11(10(2)14)7-13(12)16-4/h5-7,9-10H,8,14H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine?
(1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine has a molecular weight of 239.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-methoxy-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 78960200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).