N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine

C17H29NO3 — CID 103406401

IUPACN-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
SMILESCOCCOCCCOCc1cccc(CNC(C)C)c1
InChIInChI=1S/C17H29NO3/c1-15(2)18-13-16-6-4-7-17(12-16)14-21-9-5-8-20-11-10-19-3/h4,6-7,12,15,18H,5,8-11,13-14H2,1-3H3
InChIKeyIQNYCGULNVNMEA-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.75
Rot. Bonds12

About N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine

N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine (PubChem CID 103406401) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
PubChem CID103406401
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
SMILESCOCCOCCCOCc1cccc(CNC(C)C)c1
InChIInChI=1S/C17H29NO3/c1-15(2)18-13-16-6-4-7-17(12-16)14-21-9-5-8-20-11-10-19-3/h4,6-7,12,15,18H,5,8-11,13-14H2,1-3H3
InChIKeyIQNYCGULNVNMEA-UHFFFAOYSA-N
XLogP2.75
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62442424
N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770
N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62441668
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine
CID 106206202
N-[[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]propan-2-amine
CID 103409034
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine
CID 62460740
1-bromo-3-[2-(3-methoxypropoxy)ethoxymethyl]benzene
CID 103179398
N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927722
1-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111406632

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine (CID 103406401) is N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine is COCCOCCCOCc1cccc(CNC(C)C)c1.
What is the InChIKey of N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine?
The InChIKey is IQNYCGULNVNMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-15(2)18-13-16-6-4-7-17(12-16)14-21-9-5-8-20-11-10-19-3/h4,6-7,12,15,18H,5,8-11,13-14H2,1-3H3.
What are the key properties of N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine?
N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 2.75, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 103406401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).