[1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine

C19H31NO — CID 65005141

IUPAC[1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine
SMILESCCCC1(CCC)CC(CN)(c2cc(C)ccc2OC)C1
InChIInChI=1S/C19H31NO/c1-5-9-18(10-6-2)12-19(13-18,14-20)16-11-15(3)7-8-17(16)21-4/h7-8,11H,5-6,9-10,12-14,20H2,1-4H3
InChIKeyZXVDJHIAGVKNRI-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.58
Rot. Bonds7

About [1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine

[1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine (PubChem CID 65005141) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine
PubChem CID65005141
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name[1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine
SMILESCCCC1(CCC)CC(CN)(c2cc(C)ccc2OC)C1
InChIInChI=1S/C19H31NO/c1-5-9-18(10-6-2)12-19(13-18,14-20)16-11-15(3)7-8-17(16)21-4/h7-8,11H,5-6,9-10,12-14,20H2,1-4H3
InChIKeyZXVDJHIAGVKNRI-UHFFFAOYSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine?
The IUPAC name of [1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine (CID 65005141) is [1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine.
What is the SMILES notation for [1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine?
The canonical SMILES for [1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine is CCCC1(CCC)CC(CN)(c2cc(C)ccc2OC)C1.
What is the InChIKey of [1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine?
The InChIKey is ZXVDJHIAGVKNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-9-18(10-6-2)12-19(13-18,14-20)16-11-15(3)7-8-17(16)21-4/h7-8,11H,5-6,9-10,12-14,20H2,1-4H3.
What are the key properties of [1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine?
[1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine has a molecular weight of 289.46 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine is sourced from PubChem (CID 65005141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).