N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine

C17H27NO — CID 65305770

IUPACN-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine
SMILESCCOc1ccc(C)cc1CCCCCNC1CC1
InChIInChI=1S/C17H27NO/c1-3-19-17-11-8-14(2)13-15(17)7-5-4-6-12-18-16-9-10-16/h8,11,13,16,18H,3-7,9-10,12H2,1-2H3
InChIKeyAXXIBBQNVNXDGV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.86
Rot. Bonds9

About N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine

N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine (PubChem CID 65305770) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine
PubChem CID65305770
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine
SMILESCCOc1ccc(C)cc1CCCCCNC1CC1
InChIInChI=1S/C17H27NO/c1-3-19-17-11-8-14(2)13-15(17)7-5-4-6-12-18-16-9-10-16/h8,11,13,16,18H,3-7,9-10,12H2,1-2H3
InChIKeyAXXIBBQNVNXDGV-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2-ethoxy-5-methylphenyl)-3-methylpentyl]cyclopropanamine
CID 65303656
6-(2-ethoxy-5-methylphenyl)-N-ethylhexan-1-amine
CID 65306553
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
6-(2-ethoxy-5-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65306554
6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65306555
N-[4-(2-bromo-4,5-diethoxyphenyl)butyl]cyclopropanamine
CID 65305843
N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]cyclopropanamine
CID 29016012
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine (CID 65305770) is N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine is CCOc1ccc(C)cc1CCCCCNC1CC1.
What is the InChIKey of N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine?
The InChIKey is AXXIBBQNVNXDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-19-17-11-8-14(2)13-15(17)7-5-4-6-12-18-16-9-10-16/h8,11,13,16,18H,3-7,9-10,12H2,1-2H3.
What are the key properties of N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine?
N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine has a molecular weight of 261.41 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine is sourced from PubChem (CID 65305770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).