[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine

C15H25NO3 — CID 43254235

IUPAC[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
SMILESCC(C)OCCOCCCOc1ccc(CN)cc1
InChIInChI=1S/C15H25NO3/c1-13(2)18-11-10-17-8-3-9-19-15-6-4-14(12-16)5-7-15/h4-7,13H,3,8-12,16H2,1-2H3
InChIKeyMFSRVIHYRPLXIT-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.36
Rot. Bonds10

About [4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine

[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine (PubChem CID 43254235) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is [4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
PubChem CID43254235
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
SMILESCC(C)OCCOCCCOc1ccc(CN)cc1
InChIInChI=1S/C15H25NO3/c1-13(2)18-11-10-17-8-3-9-19-15-6-4-14(12-16)5-7-15/h4-7,13H,3,8-12,16H2,1-2H3
InChIKeyMFSRVIHYRPLXIT-UHFFFAOYSA-N
XLogP2.36
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
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

[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017
[4-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 43254164
[4-(2-hexoxyethoxy)phenyl]methanamine
CID 43254396
1-ethyl-4-[2-[3-[2-(2-propan-2-yloxyethoxy)ethoxy]phenoxy]ethoxy]benzene
CID 142385956
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
[4-[3-(1-phenylethoxy)propoxy]phenyl]methanamine
CID 43254276
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine
CID 62460192
[4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine
CID 106200284
3-[3-(2-propan-2-yloxyethoxy)propoxy]benzenecarbothioamide
CID 43291189

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine?
The IUPAC name of [4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine (CID 43254235) is [4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine.
What is the SMILES notation for [4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine?
The canonical SMILES for [4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine is CC(C)OCCOCCCOc1ccc(CN)cc1.
What is the InChIKey of [4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine?
The InChIKey is MFSRVIHYRPLXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13(2)18-11-10-17-8-3-9-19-15-6-4-14(12-16)5-7-15/h4-7,13H,3,8-12,16H2,1-2H3.
What are the key properties of [4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine?
[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine has a molecular weight of 267.37 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine is sourced from PubChem (CID 43254235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).