N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine

C17H27NO3 — CID 63057311

IUPACN-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OC)c(OCC2CCCC2)c1
InChIInChI=1S/C17H27NO3/c1-19-10-9-18-12-15-7-8-16(20-2)17(11-15)21-13-14-5-3-4-6-14/h7-8,11,14,18H,3-6,9-10,12-13H2,1-2H3
InChIKeyDQLZHGMWYRWNMV-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds9

About N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine

N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine (PubChem CID 63057311) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
PubChem CID63057311
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OC)c(OCC2CCCC2)c1
InChIInChI=1S/C17H27NO3/c1-19-10-9-18-12-15-7-8-16(20-2)17(11-15)21-13-14-5-3-4-6-14/h7-8,11,14,18H,3-6,9-10,12-13H2,1-2H3
InChIKeyDQLZHGMWYRWNMV-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 60733205
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63056811
2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
N-[[4-(cyclobutylmethoxy)-3-ethoxyphenyl]methyl]propan-1-amine
CID 65457532
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119
2-methoxy-N-[[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63057303
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 55147209

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine (CID 63057311) is N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(OC)c(OCC2CCCC2)c1.
What is the InChIKey of N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine?
The InChIKey is DQLZHGMWYRWNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-19-10-9-18-12-15-7-8-16(20-2)17(11-15)21-13-14-5-3-4-6-14/h7-8,11,14,18H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine?
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine has a molecular weight of 293.41 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63057311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).