N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine

C17H27NO2 — CID 61342420

IUPACN-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OC)ccc1OCC1CCCC1
InChIInChI=1S/C17H27NO2/c1-3-10-18-12-15-11-16(19-2)8-9-17(15)20-13-14-6-4-5-7-14/h8-9,11,14,18H,3-7,10,12-13H2,1-2H3
InChIKeyIEXODLGZCZDXGU-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.76
Rot. Bonds8

About N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine

N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine (PubChem CID 61342420) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
PubChem CID61342420
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OC)ccc1OCC1CCCC1
InChIInChI=1S/C17H27NO2/c1-3-10-18-12-15-11-16(19-2)8-9-17(15)20-13-14-6-4-5-7-14/h8-9,11,14,18H,3-7,10,12-13H2,1-2H3
InChIKeyIEXODLGZCZDXGU-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63500325
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
N-[[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64748656
N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61312439
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 106929257
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
1-[4-methoxy-2-(propylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60880225
N-[[5-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 115942152
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 97179200
N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877961

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine (CID 61342420) is N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine is CCCNCc1cc(OC)ccc1OCC1CCCC1.
What is the InChIKey of N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine?
The InChIKey is IEXODLGZCZDXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-10-18-12-15-11-16(19-2)8-9-17(15)20-13-14-6-4-5-7-14/h8-9,11,14,18H,3-7,10,12-13H2,1-2H3.
What are the key properties of N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine?
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine is sourced from PubChem (CID 61342420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).