N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine

C17H29NO2 — CID 54797439

IUPACN-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
SMILESCCCCCCCNCc1ccccc1OCCOC
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-9-12-18-15-16-10-7-8-11-17(16)20-14-13-19-2/h7-8,10-11,18H,3-6,9,12-15H2,1-2H3
InChIKeyWAHCVWDVODJJDL-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.77
Rot. Bonds12

About N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine

N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine (PubChem CID 54797439) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
PubChem CID54797439
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
SMILESCCCCCCCNCc1ccccc1OCCOC
InChIInChI=1S/C17H29NO2/c1-3-4-5-6-9-12-18-15-16-10-7-8-11-17(16)20-14-13-19-2/h7-8,10-11,18H,3-6,9,12-15H2,1-2H3
InChIKeyWAHCVWDVODJJDL-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.77
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-hexoxyphenyl)methyl]hexan-1-amine
CID 54807624
N-[(2-pentoxyphenyl)methyl]octan-1-amine
CID 54807880
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
N-[(2-decoxyphenyl)methyl]octadecan-1-amine;hydrochloride
CID 171669194
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
N-[[2-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62457882
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
CID 4722697
2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine?
The IUPAC name of N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine (CID 54797439) is N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine?
The canonical SMILES for N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine is CCCCCCCNCc1ccccc1OCCOC.
What is the InChIKey of N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine?
The InChIKey is WAHCVWDVODJJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-4-5-6-9-12-18-15-16-10-7-8-11-17(16)20-14-13-19-2/h7-8,10-11,18H,3-6,9,12-15H2,1-2H3.
What are the key properties of N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine?
N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.77, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine is sourced from PubChem (CID 54797439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).