N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine

C16H25NO4 — CID 106929257

IUPACN-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(OC)ccc1OCOCC1CC1
InChIInChI=1S/C16H25NO4/c1-18-8-7-17-10-14-9-15(19-2)5-6-16(14)21-12-20-11-13-3-4-13/h5-6,9,13,17H,3-4,7-8,10-12H2,1-2H3
InChIKeyFOCNQJHNWQEBTB-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.19
Rot. Bonds11

About N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine

N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine (PubChem CID 106929257) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
PubChem CID106929257
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cc(OC)ccc1OCOCC1CC1
InChIInChI=1S/C16H25NO4/c1-18-8-7-17-10-14-9-15(19-2)5-6-16(14)21-12-20-11-13-3-4-13/h5-6,9,13,17H,3-4,7-8,10-12H2,1-2H3
InChIKeyFOCNQJHNWQEBTB-UHFFFAOYSA-N
XLogP2.19
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methanamine
CID 106929092
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420
2-methoxy-N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 63063528
2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine
CID 63062163
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63061286
5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63063532
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63062845
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63500325
N-[[2-(cyclopropylmethoxymethoxy)-5-nitrophenyl]methyl]propan-1-amine
CID 106929182
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365198
N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177499

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine (CID 106929257) is N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine is COCCNCc1cc(OC)ccc1OCOCC1CC1.
What is the InChIKey of N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine?
The InChIKey is FOCNQJHNWQEBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-18-8-7-17-10-14-9-15(19-2)5-6-16(14)21-12-20-11-13-3-4-13/h5-6,9,13,17H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine?
N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine has a molecular weight of 295.38 g/mol, XLogP of 2.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106929257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).