N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine

C15H21F2NO3 — CID 83231491

IUPACN-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
SMILESCCOc1cc(CNOC2CCCC2)ccc1OC(F)F
InChIInChI=1S/C15H21F2NO3/c1-2-19-14-9-11(7-8-13(14)20-15(16)17)10-18-21-12-5-3-4-6-12/h7-9,12,15,18H,2-6,10H2,1H3
InChIKeyRWXJBBTTWYBIJP-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.65
Rot. Bonds8

About N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine

N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine (PubChem CID 83231491) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
PubChem CID83231491
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC NameN-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine
SMILESCCOc1cc(CNOC2CCCC2)ccc1OC(F)F
InChIInChI=1S/C15H21F2NO3/c1-2-19-14-9-11(7-8-13(14)20-15(16)17)10-18-21-12-5-3-4-6-12/h7-9,12,15,18H,2-6,10H2,1H3
InChIKeyRWXJBBTTWYBIJP-UHFFFAOYSA-N
XLogP3.65
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]ethanamine
CID 115690084
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635143
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]propan-2-amine
CID 43278205
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxan-3-amine
CID 63359991
1-cyclopropyl-2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]ethanol
CID 63294117
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594079
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]thiolan-3-amine
CID 103701509
N-[(4-cyclopentyloxy-3-ethoxyphenyl)methyl]ethanamine
CID 43278175
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333
1-[5-bromo-2-(difluoromethoxy)phenyl]-N-cyclopentyloxymethanamine
CID 83229348

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine?
The IUPAC name of N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine (CID 83231491) is N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine?
The canonical SMILES for N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine is CCOc1cc(CNOC2CCCC2)ccc1OC(F)F.
What is the InChIKey of N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine?
The InChIKey is RWXJBBTTWYBIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3/c1-2-19-14-9-11(7-8-13(14)20-15(16)17)10-18-21-12-5-3-4-6-12/h7-9,12,15,18H,2-6,10H2,1H3.
What are the key properties of N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine?
N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine has a molecular weight of 301.33 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine is sourced from PubChem (CID 83231491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).