4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine

C16H25NO2 — CID 106929163

IUPAC4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1ccc(OCOCC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(17-2)3-4-14-7-9-16(10-8-14)19-12-18-11-15-5-6-15/h7-10,13,15,17H,3-6,11-12H2,1-2H3
InChIKeyZKIIRQBEYDPYJF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds9

About 4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine

4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine (PubChem CID 106929163) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine
PubChem CID106929163
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine
SMILESCNC(C)CCc1ccc(OCOCC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-13(17-2)3-4-14-7-9-16(10-8-14)19-12-18-11-15-5-6-15/h7-10,13,15,17H,3-6,11-12H2,1-2H3
InChIKeyZKIIRQBEYDPYJF-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine?
The IUPAC name of 4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine (CID 106929163) is 4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine?
The canonical SMILES for 4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine is CNC(C)CCc1ccc(OCOCC2CC2)cc1.
What is the InChIKey of 4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine?
The InChIKey is ZKIIRQBEYDPYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(17-2)3-4-14-7-9-16(10-8-14)19-12-18-11-15-5-6-15/h7-10,13,15,17H,3-6,11-12H2,1-2H3.
What are the key properties of 4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine?
4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine is sourced from PubChem (CID 106929163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).