(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine

C16H21N3O2 — CID 82000083

IUPAC(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine
SMILESCOc1ccc([C@@H](C)N)c(OCc2cncn2C2CC2)c1
InChIInChI=1S/C16H21N3O2/c1-11(17)15-6-5-14(20-2)7-16(15)21-9-13-8-18-10-19(13)12-3-4-12/h5-8,10-12H,3-4,9,17H2,1-2H3/t11-/m1/s1
InChIKeyBPWKMSQACXLENY-LLVKDONJSA-N
MW287.36 g/mol
LogP2.83
Rot. Bonds6

About (1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine

(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine (PubChem CID 82000083) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine
PubChem CID82000083
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine
SMILESCOc1ccc([C@@H](C)N)c(OCc2cncn2C2CC2)c1
InChIInChI=1S/C16H21N3O2/c1-11(17)15-6-5-14(20-2)7-16(15)21-9-13-8-18-10-19(13)12-3-4-12/h5-8,10-12H,3-4,9,17H2,1-2H3/t11-/m1/s1
InChIKeyBPWKMSQACXLENY-LLVKDONJSA-N
XLogP2.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 82002809
2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxybenzoic acid
CID 66153089
1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948213
[4-[(3-cyclopropylimidazol-4-yl)methoxy]-3-methoxyphenyl]methanamine
CID 66153666
4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline
CID 66152915
1-[4-methoxy-2-[(3-methylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 82000208
(1R)-1-[5-chloro-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66154464
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline
CID 66164456
1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 66152900
1-cyclopropyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole
CID 66148013
1-[2-(ethoxymethoxy)-4-methoxyphenyl]ethanamine
CID 82000622
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370569

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine (CID 82000083) is (1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine is COc1ccc([C@@H](C)N)c(OCc2cncn2C2CC2)c1.
What is the InChIKey of (1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine?
The InChIKey is BPWKMSQACXLENY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(17)15-6-5-14(20-2)7-16(15)21-9-13-8-18-10-19(13)12-3-4-12/h5-8,10-12H,3-4,9,17H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine?
(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 82000083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).