[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine

C13H19NO3 — CID 106929092

IUPAC[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine
SMILESCOc1ccc(OCOCC2CC2)c(CN)c1
InChIInChI=1S/C13H19NO3/c1-15-12-4-5-13(11(6-12)7-14)17-9-16-8-10-2-3-10/h4-6,10H,2-3,7-9,14H2,1H3
InChIKeyVSEIPGBGAJQKDX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.92
Rot. Bonds7

About [2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine

[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine (PubChem CID 106929092) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine
PubChem CID106929092
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine
SMILESCOc1ccc(OCOCC2CC2)c(CN)c1
InChIInChI=1S/C13H19NO3/c1-15-12-4-5-13(11(6-12)7-14)17-9-16-8-10-2-3-10/h4-6,10H,2-3,7-9,14H2,1H3
InChIKeyVSEIPGBGAJQKDX-UHFFFAOYSA-N
XLogP1.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 106929257
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
2-(chloromethyl)-1-(cyclopropylmethoxymethoxy)-4-methylbenzene
CID 106929904
2-[2-(aminomethyl)-4-methoxyphenoxy]-N,N-diethylethanamine
CID 43268159
[5-methoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanamine
CID 61490995
[2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60878324
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62697998
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420
4-[[2-(aminomethyl)-4-methoxyphenoxy]methyl]-3-methylbenzonitrile
CID 114479461
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
CID 65369886

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine?
The IUPAC name of [2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine (CID 106929092) is [2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine?
The canonical SMILES for [2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine is COc1ccc(OCOCC2CC2)c(CN)c1.
What is the InChIKey of [2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine?
The InChIKey is VSEIPGBGAJQKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-12-4-5-13(11(6-12)7-14)17-9-16-8-10-2-3-10/h4-6,10H,2-3,7-9,14H2,1H3.
What are the key properties of [2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine?
[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine is sourced from PubChem (CID 106929092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).