N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine

C16H27NO3 — CID 104566770

IUPACN-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
SMILESCOCCOCCOCc1ccc(CNC(C)C)cc1
InChIInChI=1S/C16H27NO3/c1-14(2)17-12-15-4-6-16(7-5-15)13-20-11-10-19-9-8-18-3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyCXTILEORGJMTIL-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.36
Rot. Bonds11

About N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine

N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine (PubChem CID 104566770) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
PubChem CID104566770
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
SMILESCOCCOCCOCc1ccc(CNC(C)C)cc1
InChIInChI=1S/C16H27NO3/c1-14(2)17-12-15-4-6-16(7-5-15)13-20-11-10-19-9-8-18-3/h4-7,14,17H,8-13H2,1-3H3
InChIKeyCXTILEORGJMTIL-UHFFFAOYSA-N
XLogP2.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.36
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-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62441668
N-[[3-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methyl]propan-2-amine
CID 103406401
N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 62459122
N-[[4-(4,4,4-trifluorobutoxymethyl)phenyl]methyl]propan-2-amine
CID 82792663
N-[[3-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62442424
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
N-[[4-[2-(3-methoxypropoxy)ethylsulfanyl]phenyl]methyl]propan-2-amine
CID 103184284
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
N-[[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]propan-2-amine
CID 103409034
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-4-[2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethynyl]benzene
CID 102087372
N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine
CID 159134090

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine (CID 104566770) is N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine is COCCOCCOCc1ccc(CNC(C)C)cc1.
What is the InChIKey of N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine?
The InChIKey is CXTILEORGJMTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-14(2)17-12-15-4-6-16(7-5-15)13-20-11-10-19-9-8-18-3/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine?
N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 104566770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).