(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine

C13H19NO2 — CID 106929329

IUPAC(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCOCC2CC2)c1
InChIInChI=1S/C13H19NO2/c1-10(14)12-3-2-4-13(7-12)16-9-15-8-11-5-6-11/h2-4,7,10-11H,5-6,8-9,14H2,1H3/t10-/m1/s1
InChIKeyWDYXMVOVAXJCOW-SNVBAGLBSA-N
MW221.30 g/mol
LogP2.47
Rot. Bonds6

About (1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine

(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine (PubChem CID 106929329) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine
PubChem CID106929329
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCOCC2CC2)c1
InChIInChI=1S/C13H19NO2/c1-10(14)12-3-2-4-13(7-12)16-9-15-8-11-5-6-11/h2-4,7,10-11H,5-6,8-9,14H2,1H3/t10-/m1/s1
InChIKeyWDYXMVOVAXJCOW-SNVBAGLBSA-N
XLogP2.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
3-(cyclopropylmethoxymethoxy)aniline
CID 106928946
2-(2-cyclopropylethoxy)ethanethiol;1-[3-(cyclopropylmethoxy)phenyl]ethanamine;ethane
CID 142360497
(1R)-1-[3-(cyclopropylmethoxy)phenyl]propan-1-amine;hydrochloride
CID 70655533
1-[3-chloro-4-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929435
(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375
[3-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929767
1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine
CID 106930535
1-[4-(cyclopropylmethoxy)phenyl]ethanamine;hydrochloride
CID 171689372
1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
CID 107669089
3-(cyclopropylmethoxymethoxy)benzenecarboximidamide
CID 106929697
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine (CID 106929329) is (1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine is C[C@@H](N)c1cccc(OCOCC2CC2)c1.
What is the InChIKey of (1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine?
The InChIKey is WDYXMVOVAXJCOW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(14)12-3-2-4-13(7-12)16-9-15-8-11-5-6-11/h2-4,7,10-11H,5-6,8-9,14H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine?
(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine is sourced from PubChem (CID 106929329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).