N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine

C18H29NO2 — CID 62444230

IUPACN-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCOC1CCCCC1
InChIInChI=1S/C18H29NO2/c1-2-12-19-15-16-8-6-7-11-18(16)21-14-13-20-17-9-4-3-5-10-17/h6-8,11,17,19H,2-5,9-10,12-15H2,1H3
InChIKeyVYJFKEOLZOILLF-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.91
Rot. Bonds9

About N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine

N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine (PubChem CID 62444230) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine
PubChem CID62444230
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1OCCOC1CCCCC1
InChIInChI=1S/C18H29NO2/c1-2-12-19-15-16-8-6-7-11-18(16)21-14-13-20-17-9-4-3-5-10-17/h6-8,11,17,19H,2-5,9-10,12-15H2,1H3
InChIKeyVYJFKEOLZOILLF-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.91
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-(2-cyclohexyloxyethoxy)phenyl]methyl]cyclopropanamine
CID 62444426
N-[[2-(3-ethoxypropoxy)phenyl]methyl]propan-1-amine
CID 65176507
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N-[[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]propan-1-amine
CID 62455849
N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine
CID 62440897
N-[(2-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62484361
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797439

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine (CID 62444230) is N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1OCCOC1CCCCC1.
What is the InChIKey of N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is VYJFKEOLZOILLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-12-19-15-16-8-6-7-11-18(16)21-14-13-20-17-9-4-3-5-10-17/h6-8,11,17,19H,2-5,9-10,12-15H2,1H3.
What are the key properties of N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine?
N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-cyclohexyloxyethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62444230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).