N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine

C14H23NO3 — CID 39356684

IUPACN-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
SMILESCOCCOc1cc(CNC(C)C)ccc1OC
InChIInChI=1S/C14H23NO3/c1-11(2)15-10-12-5-6-13(17-4)14(9-12)18-8-7-16-3/h5-6,9,11,15H,7-8,10H2,1-4H3
InChIKeyQQXRJSYSXOJHLF-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds8

About N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine

N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine (PubChem CID 39356684) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
PubChem CID39356684
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
SMILESCOCCOc1cc(CNC(C)C)ccc1OC
InChIInChI=1S/C14H23NO3/c1-11(2)15-10-12-5-6-13(17-4)14(9-12)18-8-7-16-3/h5-6,9,11,15H,7-8,10H2,1-4H3
InChIKeyQQXRJSYSXOJHLF-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
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-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357
N-[[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]propan-2-amine
CID 61481181
N-[[3-(2-bromoprop-2-enoxy)-4-methoxyphenyl]methyl]propan-2-amine
CID 60881885
N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807428
N-[[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]methyl]propan-2-amine
CID 103409034
N-ethyl-2-[2-methoxy-5-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43309459
N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine
CID 107006062
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 60882435
N-[[3-ethoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43278195
1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103408997
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148
N-[[4-methoxy-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60880953

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine (CID 39356684) is N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine is COCCOc1cc(CNC(C)C)ccc1OC.
What is the InChIKey of N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is QQXRJSYSXOJHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11(2)15-10-12-5-6-13(17-4)14(9-12)18-8-7-16-3/h5-6,9,11,15H,7-8,10H2,1-4H3.
What are the key properties of N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine?
N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 39356684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).